1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide

C14H16N2O3 — CID 155260403

IUPAC1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(C=O)cc2)CC1C(N)=O
InChIInChI=1S/C14H16N2O3/c1-9-6-16(7-12(9)13(15)18)14(19)11-4-2-10(8-17)3-5-11/h2-5,8-9,12H,6-7H2,1H3,(H2,15,18)
InChIKeyGJVXDEPOFSMOKM-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.69
Rot. Bonds3

About 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide

1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide (PubChem CID 155260403) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
PubChem CID155260403
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide
SMILESCC1CN(C(=O)c2ccc(C=O)cc2)CC1C(N)=O
InChIInChI=1S/C14H16N2O3/c1-9-6-16(7-12(9)13(15)18)14(19)11-4-2-10(8-17)3-5-11/h2-5,8-9,12H,6-7H2,1H3,(H2,15,18)
InChIKeyGJVXDEPOFSMOKM-UHFFFAOYSA-N
XLogP0.69
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(3S,4S)-1-(3-bromo-4-chlorobenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984101
(3S,4S)-1-(1H-indole-6-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983948
(3S,4S)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128984209
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135
4-(3,4-dimethylpyrrolidine-1-carbonyl)benzenecarbothioamide
CID 79038709
(3S,4S)-1-(3-methoxybenzoyl)-4-methylpyrrolidine-3-carboxamide
CID 122132864
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
(3S,4S)-1-(5-fluoropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 128983967
(3S,4S)-4-methyl-1-(1-propylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 128988827
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
methyl (3S,4S)-1-(4-bromobenzoyl)-4-methylpyrrolidine-3-carboxylate
CID 122139680

Frequently Asked Questions

What is the IUPAC name of 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide (CID 155260403) is 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide is CC1CN(C(=O)c2ccc(C=O)cc2)CC1C(N)=O.
What is the InChIKey of 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide?
The InChIKey is GJVXDEPOFSMOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-6-16(7-12(9)13(15)18)14(19)11-4-2-10(8-17)3-5-11/h2-5,8-9,12H,6-7H2,1H3,(H2,15,18).
What are the key properties of 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide?
1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formylbenzoyl)-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 155260403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).