1-(1H-indol-2-yl)-3-methylideneindol-2-one

C17H12N2O — CID 70274778

IUPAC1-(1H-indol-2-yl)-3-methylideneindol-2-one
SMILESC=C1C(=O)N(c2cc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H12N2O/c1-11-13-7-3-5-9-15(13)19(17(11)20)16-10-12-6-2-4-8-14(12)18-16/h2-10,18H,1H2
InChIKeyMIMLSYSJAOOPNO-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.86
Rot. Bonds1

About 1-(1H-indol-2-yl)-3-methylideneindol-2-one

1-(1H-indol-2-yl)-3-methylideneindol-2-one (PubChem CID 70274778) has the molecular formula C17H12N2O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(1H-indol-2-yl)-3-methylideneindol-2-one.

Molecular Properties

Compound Name1-(1H-indol-2-yl)-3-methylideneindol-2-one
PubChem CID70274778
Molecular FormulaC17H12N2O
Molecular Weight260.30 g/mol
Exact Mass260.09
IUPAC Name1-(1H-indol-2-yl)-3-methylideneindol-2-one
SMILESC=C1C(=O)N(c2cc3ccccc3[nH]2)c2ccccc21
InChIInChI=1S/C17H12N2O/c1-11-13-7-3-5-9-15(13)19(17(11)20)16-10-12-6-2-4-8-14(12)18-16/h2-10,18H,1H2
InChIKeyMIMLSYSJAOOPNO-UHFFFAOYSA-N
XLogP3.86
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(1H-indol-2-yl)-3-methylideneindol-2-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

1-(1H-indol-2-yl)pyrrolidine-2,5-dione
CID 163731271
(3Z)-3-[(2-aminophenyl)-(1H-indol-2-yl)methylidene]-1-phenylindol-2-one
CID 132990633
1-benzoyl-3-(1H-indol-2-yl)-1,3-diazinane-2,4,6-trione
CID 90259373
7-(2-aminophenyl)-1-(1H-indol-2-yl)-2,1-benzoxazol-3-one
CID 70406389
1-(1H-indol-2-yl)-2H-pyrrol-3-imine
CID 151572241
1-(1H-indol-2-yl)-3,4-dihydro-2H-quinoline
CID 70171146
copper bis(2-oxo-1H-quinolin-3-olate)
CID 67199859
(2S)-N-(1H-indol-2-ylmethyl)-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 95151014
2-(2-iodophenyl)-1H-indole
CID 12996175
3-methoxy-1H-quinolin-2-one;2-methylprop-2-enoic acid
CID 67740157
ethyl 3-methylidene-2-oxoindole-1-carboxylate
CID 141183586
3-(dichloromethyl)-1H-quinolin-2-one
CID 15208670

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-yl)-3-methylideneindol-2-one?
The IUPAC name of 1-(1H-indol-2-yl)-3-methylideneindol-2-one (CID 70274778) is 1-(1H-indol-2-yl)-3-methylideneindol-2-one.
What is the SMILES notation for 1-(1H-indol-2-yl)-3-methylideneindol-2-one?
The canonical SMILES for 1-(1H-indol-2-yl)-3-methylideneindol-2-one is C=C1C(=O)N(c2cc3ccccc3[nH]2)c2ccccc21.
What is the InChIKey of 1-(1H-indol-2-yl)-3-methylideneindol-2-one?
The InChIKey is MIMLSYSJAOOPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O/c1-11-13-7-3-5-9-15(13)19(17(11)20)16-10-12-6-2-4-8-14(12)18-16/h2-10,18H,1H2.
What are the key properties of 1-(1H-indol-2-yl)-3-methylideneindol-2-one?
1-(1H-indol-2-yl)-3-methylideneindol-2-one has a molecular weight of 260.30 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-yl)-3-methylideneindol-2-one is sourced from PubChem (CID 70274778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).