2,3,4,7-tetrahydroinden-1-one

C9H10O — CID 11073470

IUPAC2,3,4,7-tetrahydroinden-1-one
SMILESO=C1CCC2=C1CC=CC2
InChIInChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2H,3-6H2
InChIKeyFOUCHQQTNYTEGA-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.00
Rot. Bonds

About 2,3,4,7-tetrahydroinden-1-one

2,3,4,7-tetrahydroinden-1-one (PubChem CID 11073470) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,3,4,7-tetrahydroinden-1-one.

Molecular Properties

Compound Name2,3,4,7-tetrahydroinden-1-one
PubChem CID11073470
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name2,3,4,7-tetrahydroinden-1-one
SMILESO=C1CCC2=C1CC=CC2
InChIInChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2H,3-6H2
InChIKeyFOUCHQQTNYTEGA-UHFFFAOYSA-N
XLogP2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,4,7-tetrahydroinden-1-one?
The IUPAC name of 2,3,4,7-tetrahydroinden-1-one (CID 11073470) is 2,3,4,7-tetrahydroinden-1-one.
What is the SMILES notation for 2,3,4,7-tetrahydroinden-1-one?
The canonical SMILES for 2,3,4,7-tetrahydroinden-1-one is O=C1CCC2=C1CC=CC2.
What is the InChIKey of 2,3,4,7-tetrahydroinden-1-one?
The InChIKey is FOUCHQQTNYTEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-2H,3-6H2.
What are the key properties of 2,3,4,7-tetrahydroinden-1-one?
2,3,4,7-tetrahydroinden-1-one has a molecular weight of 134.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,7-tetrahydroinden-1-one is sourced from PubChem (CID 11073470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).