5-methyl-1H-indene;propane

C13H18 — CID 91103814

IUPAC5-methyl-1H-indene;propane
SMILESCCC.Cc1ccc2c(c1)C=CC2
InChIInChI=1S/C10H10.C3H8/c1-8-5-6-9-3-2-4-10(9)7-8;1-3-2/h2,4-7H,3H2,1H3;3H2,1-2H3
InChIKeyPQSQLLQXBWYAAR-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.98
Rot. Bonds

About 5-methyl-1H-indene;propane

5-methyl-1H-indene;propane (PubChem CID 91103814) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 5-methyl-1H-indene;propane.

Molecular Properties

Compound Name5-methyl-1H-indene;propane
PubChem CID91103814
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name5-methyl-1H-indene;propane
SMILESCCC.Cc1ccc2c(c1)C=CC2
InChIInChI=1S/C10H10.C3H8/c1-8-5-6-9-3-2-4-10(9)7-8;1-3-2/h2,4-7H,3H2,1H3;3H2,1-2H3
InChIKeyPQSQLLQXBWYAAR-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-methyl-1H-indene;propane 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-1H-indene;propane?
The IUPAC name of 5-methyl-1H-indene;propane (CID 91103814) is 5-methyl-1H-indene;propane.
What is the SMILES notation for 5-methyl-1H-indene;propane?
The canonical SMILES for 5-methyl-1H-indene;propane is CCC.Cc1ccc2c(c1)C=CC2.
What is the InChIKey of 5-methyl-1H-indene;propane?
The InChIKey is PQSQLLQXBWYAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C3H8/c1-8-5-6-9-3-2-4-10(9)7-8;1-3-2/h2,4-7H,3H2,1H3;3H2,1-2H3.
What are the key properties of 5-methyl-1H-indene;propane?
5-methyl-1H-indene;propane has a molecular weight of 174.29 g/mol, XLogP of 3.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indene;propane is sourced from PubChem (CID 91103814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).