4-(2-acetylphenyl)iminooxolan-2-one

C12H11NO3 — CID 121012457

IUPAC4-(2-acetylphenyl)iminooxolan-2-one
SMILESCC(=O)c1ccccc1/N=C1/COC(=O)C1
InChIInChI=1S/C12H11NO3/c1-8(14)10-4-2-3-5-11(10)13-9-6-12(15)16-7-9/h2-5H,6-7H2,1H3/b13-9+
InChIKeyBQOSHNXSCBVHRZ-UKTHLTGXSA-N
MW217.22 g/mol
LogP1.91
Rot. Bonds2

About 4-(2-acetylphenyl)iminooxolan-2-one

4-(2-acetylphenyl)iminooxolan-2-one (PubChem CID 121012457) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 4-(2-acetylphenyl)iminooxolan-2-one.

Molecular Properties

Compound Name4-(2-acetylphenyl)iminooxolan-2-one
PubChem CID121012457
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name4-(2-acetylphenyl)iminooxolan-2-one
SMILESCC(=O)c1ccccc1/N=C1/COC(=O)C1
InChIInChI=1S/C12H11NO3/c1-8(14)10-4-2-3-5-11(10)13-9-6-12(15)16-7-9/h2-5H,6-7H2,1H3/b13-9+
InChIKeyBQOSHNXSCBVHRZ-UKTHLTGXSA-N
XLogP1.91
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenyl)iminooxolan-2-one?
The IUPAC name of 4-(2-acetylphenyl)iminooxolan-2-one (CID 121012457) is 4-(2-acetylphenyl)iminooxolan-2-one.
What is the SMILES notation for 4-(2-acetylphenyl)iminooxolan-2-one?
The canonical SMILES for 4-(2-acetylphenyl)iminooxolan-2-one is CC(=O)c1ccccc1/N=C1/COC(=O)C1.
What is the InChIKey of 4-(2-acetylphenyl)iminooxolan-2-one?
The InChIKey is BQOSHNXSCBVHRZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(14)10-4-2-3-5-11(10)13-9-6-12(15)16-7-9/h2-5H,6-7H2,1H3/b13-9+.
What are the key properties of 4-(2-acetylphenyl)iminooxolan-2-one?
4-(2-acetylphenyl)iminooxolan-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenyl)iminooxolan-2-one is sourced from PubChem (CID 121012457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).