N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide

C9H15ClN2O — CID 102780039

IUPACN-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1NCCC1C
InChIInChI=1S/C9H15ClN2O/c1-6-3-4-11-8(6)9(13)12-5-7(2)10/h6,8,11H,2-5H2,1H3,(H,12,13)
InChIKeyCMWGKAAROMFKRH-UHFFFAOYSA-N
MW202.68 g/mol
LogP0.85
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide

N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102780039) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102780039
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC NameN-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide
SMILESC=C(Cl)CNC(=O)C1NCCC1C
InChIInChI=1S/C9H15ClN2O/c1-6-3-4-11-8(6)9(13)12-5-7(2)10/h6,8,11H,2-5H2,1H3,(H,12,13)
InChIKeyCMWGKAAROMFKRH-UHFFFAOYSA-N
XLogP0.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-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-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide (CID 102780039) is N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide is C=C(Cl)CNC(=O)C1NCCC1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is CMWGKAAROMFKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-6-3-4-11-8(6)9(13)12-5-7(2)10/h6,8,11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide?
N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 202.68 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102780039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).