2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide

C7H7Cl3N2O2 — CID 2776871

IUPAC2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NC(Cl)=C(Cl)Cl
InChIInChI=1S/C7H7Cl3N2O2/c8-5(9)6(10)11-7(14)12-3-1-2-4(12)13/h1-3H2,(H,11,14)
InChIKeyGNAOFRDIFCBAHZ-UHFFFAOYSA-N
MW257.50 g/mol
LogP2.16
Rot. Bonds1

About 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide

2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide (PubChem CID 2776871) has the molecular formula C7H7Cl3N2O2 and a molecular weight of 257.50 g/mol. Its IUPAC name is 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide
PubChem CID2776871
Molecular FormulaC7H7Cl3N2O2
Molecular Weight257.50 g/mol
Exact Mass255.96
IUPAC Name2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide
SMILESO=C1CCCN1C(=O)NC(Cl)=C(Cl)Cl
InChIInChI=1S/C7H7Cl3N2O2/c8-5(9)6(10)11-7(14)12-3-1-2-4(12)13/h1-3H2,(H,11,14)
InChIKeyGNAOFRDIFCBAHZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-oxopyrrolidine-1-carboxamide
CID 18176273
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
potassium 2-oxopyrrolidine-1-carboxylate
CID 23675141
sodium;2-oxopyrrolidine-1-carboxylate;hydrate
CID 139621831
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
2-oxopyrrolidine-1-carboxylic acid;urea
CID 158320427
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
N-[[methoxy(dimethyl)silyl]methyl]-2-oxopyrrolidine-1-carboxamide
CID 69215404
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
1-(4-methyldithiolane-4-carbonyl)pyrrolidin-2-one
CID 142703179

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide (CID 2776871) is 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide is O=C1CCCN1C(=O)NC(Cl)=C(Cl)Cl.
What is the InChIKey of 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide?
The InChIKey is GNAOFRDIFCBAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl3N2O2/c8-5(9)6(10)11-7(14)12-3-1-2-4(12)13/h1-3H2,(H,11,14).
What are the key properties of 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide?
2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide has a molecular weight of 257.50 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1,2,2-trichloroethenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 2776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).