5-methyl-4-prop-2-enyl-1H-indole

C12H13N — CID 67962265

IUPAC5-methyl-4-prop-2-enyl-1H-indole
SMILESC=CCc1c(C)ccc2[nH]ccc12
InChIInChI=1S/C12H13N/c1-3-4-10-9(2)5-6-12-11(10)7-8-13-12/h3,5-8,13H,1,4H2,2H3
InChIKeyWTLZJWANDOURAT-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.20
Rot. Bonds2

About 5-methyl-4-prop-2-enyl-1H-indole

5-methyl-4-prop-2-enyl-1H-indole (PubChem CID 67962265) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-methyl-4-prop-2-enyl-1H-indole.

Molecular Properties

Compound Name5-methyl-4-prop-2-enyl-1H-indole
PubChem CID67962265
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name5-methyl-4-prop-2-enyl-1H-indole
SMILESC=CCc1c(C)ccc2[nH]ccc12
InChIInChI=1S/C12H13N/c1-3-4-10-9(2)5-6-12-11(10)7-8-13-12/h3,5-8,13H,1,4H2,2H3
InChIKeyWTLZJWANDOURAT-UHFFFAOYSA-N
XLogP3.20
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-methyl-4-prop-2-enyl-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 5-methyl-4-prop-2-enyl-1H-indole?
The IUPAC name of 5-methyl-4-prop-2-enyl-1H-indole (CID 67962265) is 5-methyl-4-prop-2-enyl-1H-indole.
What is the SMILES notation for 5-methyl-4-prop-2-enyl-1H-indole?
The canonical SMILES for 5-methyl-4-prop-2-enyl-1H-indole is C=CCc1c(C)ccc2[nH]ccc12.
What is the InChIKey of 5-methyl-4-prop-2-enyl-1H-indole?
The InChIKey is WTLZJWANDOURAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-3-4-10-9(2)5-6-12-11(10)7-8-13-12/h3,5-8,13H,1,4H2,2H3.
What are the key properties of 5-methyl-4-prop-2-enyl-1H-indole?
5-methyl-4-prop-2-enyl-1H-indole has a molecular weight of 171.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-prop-2-enyl-1H-indole is sourced from PubChem (CID 67962265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).