7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene

C10H16 — CID 13074891

IUPAC7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
SMILESCC1=C2CCCC2CCC1
InChIInChI=1S/C10H16/c1-8-4-2-5-9-6-3-7-10(8)9/h9H,2-7H2,1H3
InChIKeyROOCPAAGJYRRAS-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.29
Rot. Bonds

About 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene

7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene (PubChem CID 13074891) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene.

Molecular Properties

Compound Name7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
PubChem CID13074891
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
SMILESCC1=C2CCCC2CCC1
InChIInChI=1S/C10H16/c1-8-4-2-5-9-6-3-7-10(8)9/h9H,2-7H2,1H3
InChIKeyROOCPAAGJYRRAS-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene 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 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The IUPAC name of 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene (CID 13074891) is 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene.
What is the SMILES notation for 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The canonical SMILES for 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene is CC1=C2CCCC2CCC1.
What is the InChIKey of 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
The InChIKey is ROOCPAAGJYRRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-8-4-2-5-9-6-3-7-10(8)9/h9H,2-7H2,1H3.
What are the key properties of 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene?
7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene has a molecular weight of 136.24 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,4,5,6-hexahydro-1H-indene is sourced from PubChem (CID 13074891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).