2-ethenyl-2-phenyl-1H-indol-3-one

C16H13NO — CID 11118014

IUPAC2-ethenyl-2-phenyl-1H-indol-3-one
SMILESC=CC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C16H13NO/c1-2-16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)17-16/h2-11,17H,1H2
InChIKeyDSJIERHIQCFEHP-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.38
Rot. Bonds2

About 2-ethenyl-2-phenyl-1H-indol-3-one

2-ethenyl-2-phenyl-1H-indol-3-one (PubChem CID 11118014) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-ethenyl-2-phenyl-1H-indol-3-one.

Molecular Properties

Compound Name2-ethenyl-2-phenyl-1H-indol-3-one
PubChem CID11118014
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name2-ethenyl-2-phenyl-1H-indol-3-one
SMILESC=CC1(c2ccccc2)Nc2ccccc2C1=O
InChIInChI=1S/C16H13NO/c1-2-16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)17-16/h2-11,17H,1H2
InChIKeyDSJIERHIQCFEHP-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-ethenyl-2-phenyl-1H-indol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromophenyl)-2-phenyl-1H-indol-3-one
CID 10959434
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
CID 3793206
2-methyl-2-phenyl-3-prop-2-enyl-1H-quinazolin-4-one
CID 54779677
3-chloro-3-phenyl-1H-quinoline-2,4-dione
CID 2785082
2-hexyl-2-phenyl-1H-indol-3-one
CID 132839339
(2S)-2-(2-bromophenyl)-2-prop-2-enyl-1H-indol-3-one
CID 101241045
2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
(2S)-4-oxo-2-phenyl-1,3-dihydroquinazoline-2-carboxylate
CID 6920169
ethyl 2-(3-oxo-2-phenyl-1H-indol-2-yl)acetate
CID 122364960
2,2-bis(4-methoxyphenyl)-1H-indol-3-one
CID 138738671
spiro[1H-indole-2,3'-2-benzofuran]-1',3-dione
CID 132536023
3-(2-ethenylphenyl)-4-phenylpyrrole-2,5-dione
CID 141489525

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-phenyl-1H-indol-3-one?
The IUPAC name of 2-ethenyl-2-phenyl-1H-indol-3-one (CID 11118014) is 2-ethenyl-2-phenyl-1H-indol-3-one.
What is the SMILES notation for 2-ethenyl-2-phenyl-1H-indol-3-one?
The canonical SMILES for 2-ethenyl-2-phenyl-1H-indol-3-one is C=CC1(c2ccccc2)Nc2ccccc2C1=O.
What is the InChIKey of 2-ethenyl-2-phenyl-1H-indol-3-one?
The InChIKey is DSJIERHIQCFEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO/c1-2-16(12-8-4-3-5-9-12)15(18)13-10-6-7-11-14(13)17-16/h2-11,17H,1H2.
What are the key properties of 2-ethenyl-2-phenyl-1H-indol-3-one?
2-ethenyl-2-phenyl-1H-indol-3-one has a molecular weight of 235.29 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-phenyl-1H-indol-3-one is sourced from PubChem (CID 11118014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).