2,3-dihydro-1H-indol-7-yl(phenyl)methanone

C15H13NO — CID 2741892

IUPAC2,3-dihydro-1H-indol-7-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cccc2c1NCC2
InChIInChI=1S/C15H13NO/c17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2
InChIKeyZZOVZJBWXVZVLN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.89
Rot. Bonds2

About 2,3-dihydro-1H-indol-7-yl(phenyl)methanone

2,3-dihydro-1H-indol-7-yl(phenyl)methanone (PubChem CID 2741892) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-7-yl(phenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-7-yl(phenyl)methanone
PubChem CID2741892
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2,3-dihydro-1H-indol-7-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1cccc2c1NCC2
InChIInChI=1S/C15H13NO/c17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2
InChIKeyZZOVZJBWXVZVLN-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1H-indol-7-yl(phenyl)methanone 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 2,3-dihydro-1H-indol-7-yl(phenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone (CID 2741892) is 2,3-dihydro-1H-indol-7-yl(phenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone is O=C(c1ccccc1)c1cccc2c1NCC2.
What is the InChIKey of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone?
The InChIKey is ZZOVZJBWXVZVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c17-15(12-5-2-1-3-6-12)13-8-4-7-11-9-10-16-14(11)13/h1-8,16H,9-10H2.
What are the key properties of 2,3-dihydro-1H-indol-7-yl(phenyl)methanone?
2,3-dihydro-1H-indol-7-yl(phenyl)methanone has a molecular weight of 223.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-7-yl(phenyl)methanone is sourced from PubChem (CID 2741892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).