4,7-dihydro-1H-indene

C9H10 — CID 12663509

IUPAC4,7-dihydro-1H-indene
SMILESC1=CCC2=C(C=CC2)C1
InChIInChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6H,4-5,7H2
InChIKeyZPRAOFZQTYFTEG-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.59
Rot. Bonds

About 4,7-dihydro-1H-indene

4,7-dihydro-1H-indene (PubChem CID 12663509) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4,7-dihydro-1H-indene.

Molecular Properties

Compound Name4,7-dihydro-1H-indene
PubChem CID12663509
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name4,7-dihydro-1H-indene
SMILESC1=CCC2=C(C=CC2)C1
InChIInChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6H,4-5,7H2
InChIKeyZPRAOFZQTYFTEG-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-1H-indene?
The IUPAC name of 4,7-dihydro-1H-indene (CID 12663509) is 4,7-dihydro-1H-indene.
What is the SMILES notation for 4,7-dihydro-1H-indene?
The canonical SMILES for 4,7-dihydro-1H-indene is C1=CCC2=C(C=CC2)C1.
What is the InChIKey of 4,7-dihydro-1H-indene?
The InChIKey is ZPRAOFZQTYFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-3,6H,4-5,7H2.
What are the key properties of 4,7-dihydro-1H-indene?
4,7-dihydro-1H-indene has a molecular weight of 118.18 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-1H-indene is sourced from PubChem (CID 12663509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).