5-hydroxy-6-propylidenecyclohex-3-en-1-one

C9H12O2 — CID 91340895

IUPAC5-hydroxy-6-propylidenecyclohex-3-en-1-one
SMILESCCC=C1C(=O)CC=CC1O
InChIInChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3-5,8,10H,2,6H2,1H3
InChIKeyIBLVQDXNIDFIOK-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.21
Rot. Bonds1

About 5-hydroxy-6-propylidenecyclohex-3-en-1-one

5-hydroxy-6-propylidenecyclohex-3-en-1-one (PubChem CID 91340895) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-hydroxy-6-propylidenecyclohex-3-en-1-one.

Molecular Properties

Compound Name5-hydroxy-6-propylidenecyclohex-3-en-1-one
PubChem CID91340895
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-hydroxy-6-propylidenecyclohex-3-en-1-one
SMILESCCC=C1C(=O)CC=CC1O
InChIInChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3-5,8,10H,2,6H2,1H3
InChIKeyIBLVQDXNIDFIOK-UHFFFAOYSA-N
XLogP1.21
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-propylidenecyclohex-3-en-1-one?
The IUPAC name of 5-hydroxy-6-propylidenecyclohex-3-en-1-one (CID 91340895) is 5-hydroxy-6-propylidenecyclohex-3-en-1-one.
What is the SMILES notation for 5-hydroxy-6-propylidenecyclohex-3-en-1-one?
The canonical SMILES for 5-hydroxy-6-propylidenecyclohex-3-en-1-one is CCC=C1C(=O)CC=CC1O.
What is the InChIKey of 5-hydroxy-6-propylidenecyclohex-3-en-1-one?
The InChIKey is IBLVQDXNIDFIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-4-7-8(10)5-3-6-9(7)11/h3-5,8,10H,2,6H2,1H3.
What are the key properties of 5-hydroxy-6-propylidenecyclohex-3-en-1-one?
5-hydroxy-6-propylidenecyclohex-3-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-propylidenecyclohex-3-en-1-one is sourced from PubChem (CID 91340895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).