3-(4-acetylphenyl)imino-1H-indol-2-one

C16H12N2O2 — CID 135406019

IUPAC3-(4-acetylphenyl)imino-1H-indol-2-one
SMILESCC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)17-15-13-4-2-3-5-14(13)18-16(15)20/h2-9H,1H3,(H,17,18,20)
InChIKeyFCWMWSGRELKPLH-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.96
Rot. Bonds2

About 3-(4-acetylphenyl)imino-1H-indol-2-one

3-(4-acetylphenyl)imino-1H-indol-2-one (PubChem CID 135406019) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(4-acetylphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-acetylphenyl)imino-1H-indol-2-one
PubChem CID135406019
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-(4-acetylphenyl)imino-1H-indol-2-one
SMILESCC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)17-15-13-4-2-3-5-14(13)18-16(15)20/h2-9H,1H3,(H,17,18,20)
InChIKeyFCWMWSGRELKPLH-UHFFFAOYSA-N
XLogP2.96
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(4-acetylphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-acetylphenyl)imino-1H-indol-2-one (CID 135406019) is 3-(4-acetylphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-acetylphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-acetylphenyl)imino-1H-indol-2-one is CC(=O)c1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(4-acetylphenyl)imino-1H-indol-2-one?
The InChIKey is FCWMWSGRELKPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)17-15-13-4-2-3-5-14(13)18-16(15)20/h2-9H,1H3,(H,17,18,20).
What are the key properties of 3-(4-acetylphenyl)imino-1H-indol-2-one?
3-(4-acetylphenyl)imino-1H-indol-2-one has a molecular weight of 264.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135406019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).