2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C13H12N2O3 — CID 25014867

IUPAC2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESN#Cc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-10-3-1-9(2-4-10)7-12(16)15-11-5-6-18-13(11)17/h1-4,11H,5-7H2,(H,15,16)/t11-/m0/s1
InChIKeyQUCIEZSTBKCRSJ-NSHDSACASA-N
MW244.25 g/mol
LogP0.53
Rot. Bonds3

About 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 25014867) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID25014867
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESN#Cc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1
InChIInChI=1S/C13H12N2O3/c14-8-10-3-1-9(2-4-10)7-12(16)15-11-5-6-18-13(11)17/h1-4,11H,5-7H2,(H,15,16)/t11-/m0/s1
InChIKeyQUCIEZSTBKCRSJ-NSHDSACASA-N
XLogP0.53
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 25014867) is 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is N#Cc1ccc(CC(=O)N[C@H]2CCOC2=O)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is QUCIEZSTBKCRSJ-NSHDSACASA-N. The full InChI is InChI=1S/C13H12N2O3/c14-8-10-3-1-9(2-4-10)7-12(16)15-11-5-6-18-13(11)17/h1-4,11H,5-7H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 244.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 25014867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).