AB46093
2199-59-9 | Ethyl 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB46093
ChemicalName
Ethyl 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber
2199-59-9
MolecularFormula
C10H13NO3
MolecularWeight
195.2151
MdlNumber
MFCD00030352
Smiles
CCOC(=O)c1c(C)[nH]c(c1C)C=O
NscNumber
13426
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AB46093
ChemicalName: Ethyl 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber: 2199-59-9
MolecularFormula: C10H13NO3
MolecularWeight: 195.2151
MdlNumber: MFCD00030352
Smiles: CCOC(=O)c1c(C)[nH]c(c1C)C=O
NscNumber: 13426
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB46093
ChemicalName:
Ethyl 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber:
2199-59-9
MolecularFormula:
C10H13NO3
MolecularWeight:
195.2151
MdlNumber:
MFCD00030352
Smiles:
CCOC(=O)c1c(C)[nH]c(c1C)C=O
NscNumber:
13426
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AB46094
ChemicalName: Ethyl 5-methylisoxazole-3-carboxylate
CasNumber: 3209-72-1
MolecularFormula: C7H9NO3
MolecularWeight: 155.1513
MdlNumber: MFCD00085080
Smiles: CCOC(=O)c1noc(c1)C
NscNumber: __
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 1.4
CatalogNumber:
AB46094
ChemicalName:
Ethyl 5-methylisoxazole-3-carboxylate
CasNumber:
3209-72-1
MolecularFormula:
C7H9NO3
MolecularWeight:
155.1513
MdlNumber:
MFCD00085080
Smiles:
CCOC(=O)c1noc(c1)C
NscNumber:
__
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
1.4
CatalogNumber: AB46095
ChemicalName: 5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
CasNumber: 60298-18-2
MolecularFormula: C7H11NO3
MolecularWeight: 157.1671
MdlNumber: MFCD08274999
Smiles: CCOC(=O)C1CNC(=O)C1
NscNumber: __
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.5
CatalogNumber:
AB46095
ChemicalName:
5-Oxo-pyrrolidine-3-carboxylic acid ethyl ester
CasNumber:
60298-18-2
MolecularFormula:
C7H11NO3
MolecularWeight:
157.1671
MdlNumber:
MFCD08274999
Smiles:
CCOC(=O)C1CNC(=O)C1
NscNumber:
__
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.5
CatalogNumber: AB46096
ChemicalName: Ethyl 6-aminonicotinate
CasNumber: 39658-41-8
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD04972544
Smiles: CCOC(=O)c1ccc(nc1)N
NscNumber: 37818
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AB46096
ChemicalName:
Ethyl 6-aminonicotinate
CasNumber:
39658-41-8
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD04972544
Smiles:
CCOC(=O)c1ccc(nc1)N
NscNumber:
37818
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2