4H-indene

C9H8 — CID 5460736

IUPAC4H-indene
SMILESC1=CCC2=CC=CC2=C1
InChIInChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-4,6-7H,5H2
InChIKeyPZTNHPMKPSZDSI-UHFFFAOYSA-N
MW116.16 g/mol
LogP2.37
Rot. Bonds

About 4H-indene

4H-indene (PubChem CID 5460736) has the molecular formula C9H8 and a molecular weight of 116.16 g/mol. Its IUPAC name is 4H-indene.

Molecular Properties

Compound Name4H-indene
PubChem CID5460736
Molecular FormulaC9H8
Molecular Weight116.16 g/mol
Exact Mass116.06
IUPAC Name4H-indene
SMILESC1=CCC2=CC=CC2=C1
InChIInChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-4,6-7H,5H2
InChIKeyPZTNHPMKPSZDSI-UHFFFAOYSA-N
XLogP2.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4H-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 4H-indene?
The IUPAC name of 4H-indene (CID 5460736) is 4H-indene.
What is the SMILES notation for 4H-indene?
The canonical SMILES for 4H-indene is C1=CCC2=CC=CC2=C1.
What is the InChIKey of 4H-indene?
The InChIKey is PZTNHPMKPSZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8/c1-2-5-9-7-3-6-8(9)4-1/h1-4,6-7H,5H2.
What are the key properties of 4H-indene?
4H-indene has a molecular weight of 116.16 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-indene is sourced from PubChem (CID 5460736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).