3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide

C8H13ClN2O2 — CID 130585425

IUPAC3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCCl)CC1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-5-6(4-8(11)13)10-7(12)2-3-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyOMJQSGHPQHALIA-UHFFFAOYSA-N
MW204.66 g/mol
LogP-0.04
Rot. Bonds3

About 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide

3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide (PubChem CID 130585425) has the molecular formula C8H13ClN2O2 and a molecular weight of 204.66 g/mol. Its IUPAC name is 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
PubChem CID130585425
Molecular FormulaC8H13ClN2O2
Molecular Weight204.66 g/mol
Exact Mass204.07
IUPAC Name3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide
SMILESCN1CC(NC(=O)CCCl)CC1=O
InChIInChI=1S/C8H13ClN2O2/c1-11-5-6(4-8(11)13)10-7(12)2-3-9/h6H,2-5H2,1H3,(H,10,12)
InChIKeyOMJQSGHPQHALIA-UHFFFAOYSA-N
XLogP-0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-5-oxopyrrolidin-3-yl)-3-sulfanylpropanamide
CID 126983919
3-methyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 110736478
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-oxo-3-phenylpropanamide
CID 110473177
N-(1-methyl-5-oxopyrrolidin-3-yl)-3-thiophen-2-ylpropanamide
CID 110736543
3-chloro-N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7563794
2-ethyl-N-(1-methyl-5-oxopyrrolidin-3-yl)butanamide
CID 60616692
1-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 95969340
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-propan-2-ylurea
CID 71789164
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
CID 45092180
3-chloro-N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 7547596
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
2-(2-methoxyethylamino)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119758237

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide?
The IUPAC name of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide (CID 130585425) is 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide is CN1CC(NC(=O)CCCl)CC1=O.
What is the InChIKey of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide?
The InChIKey is OMJQSGHPQHALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O2/c1-11-5-6(4-8(11)13)10-7(12)2-3-9/h6H,2-5H2,1H3,(H,10,12).
What are the key properties of 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide?
3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide has a molecular weight of 204.66 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methyl-5-oxopyrrolidin-3-yl)propanamide is sourced from PubChem (CID 130585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).