1-methyl-2-(4-methylpent-4-enyl)indole

C15H19N — CID 71374623

IUPAC1-methyl-2-(4-methylpent-4-enyl)indole
SMILESC=C(C)CCCc1cc2ccccc2n1C
InChIInChI=1S/C15H19N/c1-12(2)7-6-9-14-11-13-8-4-5-10-15(13)16(14)3/h4-5,8,10-11H,1,6-7,9H2,2-3H3
InChIKeyNYYDZLUTWDETRU-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.08
Rot. Bonds4

About 1-methyl-2-(4-methylpent-4-enyl)indole

1-methyl-2-(4-methylpent-4-enyl)indole (PubChem CID 71374623) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpent-4-enyl)indole.

Molecular Properties

Compound Name1-methyl-2-(4-methylpent-4-enyl)indole
PubChem CID71374623
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name1-methyl-2-(4-methylpent-4-enyl)indole
SMILESC=C(C)CCCc1cc2ccccc2n1C
InChIInChI=1S/C15H19N/c1-12(2)7-6-9-14-11-13-8-4-5-10-15(13)16(14)3/h4-5,8,10-11H,1,6-7,9H2,2-3H3
InChIKeyNYYDZLUTWDETRU-UHFFFAOYSA-N
XLogP4.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(4-methylpent-4-enyl)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 1-methyl-2-(4-methylpent-4-enyl)indole?
The IUPAC name of 1-methyl-2-(4-methylpent-4-enyl)indole (CID 71374623) is 1-methyl-2-(4-methylpent-4-enyl)indole.
What is the SMILES notation for 1-methyl-2-(4-methylpent-4-enyl)indole?
The canonical SMILES for 1-methyl-2-(4-methylpent-4-enyl)indole is C=C(C)CCCc1cc2ccccc2n1C.
What is the InChIKey of 1-methyl-2-(4-methylpent-4-enyl)indole?
The InChIKey is NYYDZLUTWDETRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12(2)7-6-9-14-11-13-8-4-5-10-15(13)16(14)3/h4-5,8,10-11H,1,6-7,9H2,2-3H3.
What are the key properties of 1-methyl-2-(4-methylpent-4-enyl)indole?
1-methyl-2-(4-methylpent-4-enyl)indole has a molecular weight of 213.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpent-4-enyl)indole is sourced from PubChem (CID 71374623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).