2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C10H17ClN2O2 — CID 61251378

IUPAC2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(Cl)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H17ClN2O2/c1-8(11)10(15)12-5-4-9(14)13-6-2-3-7-13/h8H,2-7H2,1H3,(H,12,15)
InChIKeyITWORGPQNFEYFV-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.74
Rot. Bonds4

About 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 61251378) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID61251378
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(Cl)C(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C10H17ClN2O2/c1-8(11)10(15)12-5-4-9(14)13-6-2-3-7-13/h8H,2-7H2,1H3,(H,12,15)
InChIKeyITWORGPQNFEYFV-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.74
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

2-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 107905705
4-amino-2-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 80543621
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenylacetamide
CID 61251452
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
5-amino-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 104685586
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2S)-3-methylbutan-2-yl]urea
CID 94820370
2-amino-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanediamide
CID 61248901
(2S)-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994413
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956
(2S)-2-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103996387

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 61251378) is 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is CC(Cl)C(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is ITWORGPQNFEYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-8(11)10(15)12-5-4-9(14)13-6-2-3-7-13/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 232.71 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 61251378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).