2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide

C13H17ClN2O2 — CID 70805231

IUPAC2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)C1=C(Cl)CCC=C1
InChIInChI=1S/C13H17ClN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1,5H,2-4,6-9H2,(H,15,18)
InChIKeyARBICQMQMSTCKT-UHFFFAOYSA-N
MW268.74 g/mol
LogP1.57
Rot. Bonds3

About 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide

2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 70805231) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID70805231
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)C1=C(Cl)CCC=C1
InChIInChI=1S/C13H17ClN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1,5H,2-4,6-9H2,(H,15,18)
InChIKeyARBICQMQMSTCKT-UHFFFAOYSA-N
XLogP1.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-4-methylidenecyclohexa-1,5-diene-1-carboxamide
CID 123380362
4-amino-2-chloro-N-[(2S)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]cyclohexa-1,5-diene-1-carboxamide
CID 70640675
4-acetamido-2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 70640676
2-chloro-3-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 70640690
2-chloro-4-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 70640692
2-chloro-4-(methoxymethyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 70805264
4,5-dichloro-N-[2-[3-(ethylamino)pyrrolidin-1-yl]-2-oxoethyl]cyclohexa-1,5-diene-1-carboxamide
CID 89272450
N-[(E)-3-chloro-2-methylpent-3-enyl]-2-[2,5-dioxo-3-[(Z)-prop-1-enyl]-4-prop-1-en-2-ylpyrrol-1-yl]acetamide
CID 156091988
N-methyl-6-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 47394449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide (CID 70805231) is 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide is O=C(NCC(=O)N1CCCC1)C1=C(Cl)CCC=C1.
What is the InChIKey of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is ARBICQMQMSTCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-6-2-1-5-10(11)13(18)15-9-12(17)16-7-3-4-8-16/h1,5H,2-4,6-9H2,(H,15,18).
What are the key properties of 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide?
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 70805231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).