3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one

C13H15ClN2O2 — CID 70075934

IUPAC3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
SMILESCC1(C(N)C(=O)c2cccc(Cl)c2)CCNC1=O
InChIInChI=1S/C13H15ClN2O2/c1-13(5-6-16-12(13)18)11(15)10(17)8-3-2-4-9(14)7-8/h2-4,7,11H,5-6,15H2,1H3,(H,16,18)
InChIKeyUTAFAGBFSJLDBQ-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.38
Rot. Bonds3

About 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one

3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one (PubChem CID 70075934) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
PubChem CID70075934
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one
SMILESCC1(C(N)C(=O)c2cccc(Cl)c2)CCNC1=O
InChIInChI=1S/C13H15ClN2O2/c1-13(5-6-16-12(13)18)11(15)10(17)8-3-2-4-9(14)7-8/h2-4,7,11H,5-6,15H2,1H3,(H,16,18)
InChIKeyUTAFAGBFSJLDBQ-UHFFFAOYSA-N
XLogP1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one (CID 70075934) is 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one is CC1(C(N)C(=O)c2cccc(Cl)c2)CCNC1=O.
What is the InChIKey of 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
The InChIKey is UTAFAGBFSJLDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-13(5-6-16-12(13)18)11(15)10(17)8-3-2-4-9(14)7-8/h2-4,7,11H,5-6,15H2,1H3,(H,16,18).
What are the key properties of 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one?
3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 70075934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).