2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide

C6H9ClN2O2 — CID 106186093

IUPAC2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)CCl)CN1
InChIInChI=1S/C6H9ClN2O2/c7-2-6(11)9-4-1-5(10)8-3-4/h4H,1-3H2,(H,8,10)(H,9,11)
InChIKeySLJOBIWOCYITLV-UHFFFAOYSA-N
MW176.60 g/mol
LogP-0.77
Rot. Bonds2

About 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide

2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide (PubChem CID 106186093) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
PubChem CID106186093
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC Name2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
SMILESO=C1CC(NC(=O)CCl)CN1
InChIInChI=1S/C6H9ClN2O2/c7-2-6(11)9-4-1-5(10)8-3-4/h4H,1-3H2,(H,8,10)(H,9,11)
InChIKeySLJOBIWOCYITLV-UHFFFAOYSA-N
XLogP-0.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(5-oxopyrrolidin-3-yl)carbamoyl]propanamide
CID 106192180
2-(4-chlorophenyl)-N-[(3S)-5-oxopyrrolidin-3-yl]acetamide
CID 95368466
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
N-(5-oxopyrrolidin-3-yl)-2-(propan-2-ylamino)acetamide
CID 106187640
4-hydroxy-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106197992
1-(2-hydroxyethyl)-3-(5-oxopyrrolidin-3-yl)urea
CID 130625812
3-chloro-N-(6-oxopiperidin-3-yl)propanamide
CID 63662078
3-amino-N-(5-oxopyrrolidin-3-yl)pentanamide
CID 106187621
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227
N-(5-oxopyrrolidin-3-yl)-3-piperidin-1-ylpropanamide
CID 112534676

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide?
The IUPAC name of 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide (CID 106186093) is 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide is O=C1CC(NC(=O)CCl)CN1.
What is the InChIKey of 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide?
The InChIKey is SLJOBIWOCYITLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2O2/c7-2-6(11)9-4-1-5(10)8-3-4/h4H,1-3H2,(H,8,10)(H,9,11).
What are the key properties of 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide?
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide has a molecular weight of 176.60 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide is sourced from PubChem (CID 106186093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).