2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide

C7H11ClN2O2 — CID 164647044

IUPAC2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCNC1=O
InChIInChI=1S/C7H11ClN2O2/c1-4(8)6(11)10-5-2-3-9-7(5)12/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyMLLMHIYAGSURPR-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.38
Rot. Bonds2

About 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide

2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide (PubChem CID 164647044) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
PubChem CID164647044
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Name2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
SMILESCC(Cl)C(=O)NC1CCNC1=O
InChIInChI=1S/C7H11ClN2O2/c1-4(8)6(11)10-5-2-3-9-7(5)12/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)
InChIKeyMLLMHIYAGSURPR-UHFFFAOYSA-N
XLogP-0.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 164662315
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
3,3-dimethyl-N-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 58432563
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
2-acetamido-N-[(3S)-2-oxopyrrolidin-3-yl]acetamide
CID 130649412
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
2-[[(3S)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 164653754
1-[(3S)-2-oxopyrrolidin-3-yl]-3-(1-sulfanylethenyl)urea
CID 129160773
(2S)-2-amino-N-(2-oxoazepan-3-yl)pentanamide
CID 107568483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide (CID 164647044) is 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide is CC(Cl)C(=O)NC1CCNC1=O.
What is the InChIKey of 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide?
The InChIKey is MLLMHIYAGSURPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2/c1-4(8)6(11)10-5-2-3-9-7(5)12/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide?
2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide has a molecular weight of 190.63 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 164647044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).