(2-amino-1H-indol-3-yl)-phenylmethanone

C15H12N2O — CID 131872886

IUPAC(2-amino-1H-indol-3-yl)-phenylmethanone
SMILESNc1[nH]c2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C15H12N2O/c16-15-13(11-8-4-5-9-12(11)17-15)14(18)10-6-2-1-3-7-10/h1-9,17H,16H2
InChIKeyBTAASMRIRMUXTA-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.98
Rot. Bonds2

About (2-amino-1H-indol-3-yl)-phenylmethanone

(2-amino-1H-indol-3-yl)-phenylmethanone (PubChem CID 131872886) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is (2-amino-1H-indol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-1H-indol-3-yl)-phenylmethanone
PubChem CID131872886
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name(2-amino-1H-indol-3-yl)-phenylmethanone
SMILESNc1[nH]c2ccccc2c1C(=O)c1ccccc1
InChIInChI=1S/C15H12N2O/c16-15-13(11-8-4-5-9-12(11)17-15)14(18)10-6-2-1-3-7-10/h1-9,17H,16H2
InChIKeyBTAASMRIRMUXTA-UHFFFAOYSA-N
XLogP2.98
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-amino-1H-indol-3-yl)-phenylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-amino-1H-indol-3-yl)-phenylmethanone?
The IUPAC name of (2-amino-1H-indol-3-yl)-phenylmethanone (CID 131872886) is (2-amino-1H-indol-3-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-1H-indol-3-yl)-phenylmethanone?
The canonical SMILES for (2-amino-1H-indol-3-yl)-phenylmethanone is Nc1[nH]c2ccccc2c1C(=O)c1ccccc1.
What is the InChIKey of (2-amino-1H-indol-3-yl)-phenylmethanone?
The InChIKey is BTAASMRIRMUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-15-13(11-8-4-5-9-12(11)17-15)14(18)10-6-2-1-3-7-10/h1-9,17H,16H2.
What are the key properties of (2-amino-1H-indol-3-yl)-phenylmethanone?
(2-amino-1H-indol-3-yl)-phenylmethanone has a molecular weight of 236.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1H-indol-3-yl)-phenylmethanone is sourced from PubChem (CID 131872886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).