N-methylpyrrolidine-3-carboxamide

C6H12N2O — CID 23090433

IUPACN-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCNC1
InChIInChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)
InChIKeyBVOWXWSHDIGNRE-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.66
Rot. Bonds1

About N-methylpyrrolidine-3-carboxamide

N-methylpyrrolidine-3-carboxamide (PubChem CID 23090433) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methylpyrrolidine-3-carboxamide
PubChem CID23090433
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC NameN-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCNC1
InChIInChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9)
InChIKeyBVOWXWSHDIGNRE-UHFFFAOYSA-N
XLogP-0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-methylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-methylpyrrolidine-3-carboxamide (CID 23090433) is N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methylpyrrolidine-3-carboxamide is CNC(=O)C1CCNC1.
What is the InChIKey of N-methylpyrrolidine-3-carboxamide?
The InChIKey is BVOWXWSHDIGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-6(9)5-2-3-8-4-5/h5,8H,2-4H2,1H3,(H,7,9).
What are the key properties of N-methylpyrrolidine-3-carboxamide?
N-methylpyrrolidine-3-carboxamide has a molecular weight of 128.18 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 23090433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).