AB65558
5082-74-6 | Pyrrolidin-3-ylmethanol
Manufacturer: A2B Chem
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CatalogNumber
AB65558
ChemicalName
Pyrrolidin-3-ylmethanol
CasNumber
5082-74-6
MolecularFormula
C5H11NO
MolecularWeight
101.1469
MdlNumber
MFCD07773080
Smiles
OCC1CNCC1
Complexity
56
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB65558
ChemicalName: Pyrrolidin-3-ylmethanol
CasNumber: 5082-74-6
MolecularFormula: C5H11NO
MolecularWeight: 101.1469
MdlNumber: MFCD07773080
Smiles: OCC1CNCC1
Complexity: 56
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB65558
ChemicalName:
Pyrrolidin-3-ylmethanol
CasNumber:
5082-74-6
MolecularFormula:
C5H11NO
MolecularWeight:
101.1469
MdlNumber:
MFCD07773080
Smiles:
OCC1CNCC1
Complexity:
56
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: AB65559
ChemicalName: Pyrrolidin-3-one, HCl
CasNumber: 3760-52-9
MolecularFormula: C4H8ClNO
MolecularWeight: 121.5654
MdlNumber: MFCD00191343
Smiles: O=C1CNCC1.Cl
Complexity: 69.9
Covalently-bondedUnitCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AB65559
ChemicalName:
Pyrrolidin-3-one, HCl
CasNumber:
3760-52-9
MolecularFormula:
C4H8ClNO
MolecularWeight:
121.5654
MdlNumber:
MFCD00191343
Smiles:
O=C1CNCC1.Cl
Complexity:
69.9
Covalently-bondedUnitCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB65560
ChemicalName: 3-Quinolinecarbonitrile
CasNumber: 34846-64-5
MolecularFormula: C10H6N2
MolecularWeight: 154.168
MdlNumber: MFCD00006766
Smiles: N#Cc1cnc2c(c1)cccc2
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AB65560
ChemicalName:
3-Quinolinecarbonitrile
CasNumber:
34846-64-5
MolecularFormula:
C10H6N2
MolecularWeight:
154.168
MdlNumber:
MFCD00006766
Smiles:
N#Cc1cnc2c(c1)cccc2
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: AB65561
ChemicalName: Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CasNumber: 637027-41-9
MolecularFormula: C12H10ClNO4
MolecularWeight: 267.6651
MdlNumber: MFCD09032505
Smiles: COC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Complexity: 420
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB65561
ChemicalName:
Methyl 5-chloro-4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CasNumber:
637027-41-9
MolecularFormula:
C12H10ClNO4
MolecularWeight:
267.6651
MdlNumber:
MFCD09032505
Smiles:
COC(=O)c1c(O)c2c(Cl)cccc2n(c1=O)C
Complexity:
420
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1