N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C12H14N2O2 — CID 790557

IUPACN-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
InChIKeyCNXMKORZVSCVGQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.77
Rot. Bonds2

About N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 790557) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID790557
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)
InChIKeyCNXMKORZVSCVGQ-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 790557) is N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is CNXMKORZVSCVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 790557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).