3-ethenyl-2,3-dihydro-1H-indole

C10H11N — CID 12955131

IUPAC3-ethenyl-2,3-dihydro-1H-indole
SMILESC=CC1CNc2ccccc21
InChIInChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-6,8,11H,1,7H2
InChIKeyHJAJENHOSRXMNY-UHFFFAOYSA-N
MW145.20 g/mol
LogP2.38
Rot. Bonds1

About 3-ethenyl-2,3-dihydro-1H-indole

3-ethenyl-2,3-dihydro-1H-indole (PubChem CID 12955131) has the molecular formula C10H11N and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-ethenyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-ethenyl-2,3-dihydro-1H-indole
PubChem CID12955131
Molecular FormulaC10H11N
Molecular Weight145.20 g/mol
Exact Mass145.09
IUPAC Name3-ethenyl-2,3-dihydro-1H-indole
SMILESC=CC1CNc2ccccc21
InChIInChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-6,8,11H,1,7H2
InChIKeyHJAJENHOSRXMNY-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethenyl-2,3-dihydro-1H-indole 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 3-ethenyl-2,3-dihydro-1H-indole?
The IUPAC name of 3-ethenyl-2,3-dihydro-1H-indole (CID 12955131) is 3-ethenyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-ethenyl-2,3-dihydro-1H-indole?
The canonical SMILES for 3-ethenyl-2,3-dihydro-1H-indole is C=CC1CNc2ccccc21.
What is the InChIKey of 3-ethenyl-2,3-dihydro-1H-indole?
The InChIKey is HJAJENHOSRXMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-6,8,11H,1,7H2.
What are the key properties of 3-ethenyl-2,3-dihydro-1H-indole?
3-ethenyl-2,3-dihydro-1H-indole has a molecular weight of 145.20 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 12955131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).