3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide

C8H12ClN3O3 — CID 106192180

IUPAC3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
SMILESO=C1CC(NC(=O)NC(=O)CCCl)CN1
InChIInChI=1S/C8H12ClN3O3/c9-2-1-6(13)12-8(15)11-5-3-7(14)10-4-5/h5H,1-4H2,(H,10,14)(H2,11,12,13,15)
InChIKeyQRDSOYBOEQARBD-UHFFFAOYSA-N
MW233.65 g/mol
LogP-0.67
Rot. Bonds3

About 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide

3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide (PubChem CID 106192180) has the molecular formula C8H12ClN3O3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
PubChem CID106192180
Molecular FormulaC8H12ClN3O3
Molecular Weight233.65 g/mol
Exact Mass233.06
IUPAC Name3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
SMILESO=C1CC(NC(=O)NC(=O)CCCl)CN1
InChIInChI=1S/C8H12ClN3O3/c9-2-1-6(13)12-8(15)11-5-3-7(14)10-4-5/h5H,1-4H2,(H,10,14)(H2,11,12,13,15)
InChIKeyQRDSOYBOEQARBD-UHFFFAOYSA-N
XLogP-0.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
(2R)-3-hydroxy-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106192063
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
4-methyl-3-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 114156262
6-[(5-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106191828
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
(2S)-3-cyclopropyl-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 112734945
(2R)-2-[(5-oxopyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 106192089
3-chloro-N-[(1-methylpiperidin-4-yl)carbamoyl]propanamide
CID 43373716
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide (CID 106192180) is 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide is O=C1CC(NC(=O)NC(=O)CCCl)CN1.
What is the InChIKey of 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide?
The InChIKey is QRDSOYBOEQARBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O3/c9-2-1-6(13)12-8(15)11-5-3-7(14)10-4-5/h5H,1-4H2,(H,10,14)(H2,11,12,13,15).
What are the key properties of 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide?
3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide has a molecular weight of 233.65 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide is sourced from PubChem (CID 106192180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).