1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one

C15H20O — CID 75076980

IUPAC1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one
SMILESC=CC=CC(=O)C1=CCCC2(CCCC2)C1
InChIInChI=1S/C15H20O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyFNBUDXHQHDNQLX-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.97
Rot. Bonds3

About 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one

1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one (PubChem CID 75076980) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one
PubChem CID75076980
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one
SMILESC=CC=CC(=O)C1=CCCC2(CCCC2)C1
InChIInChI=1S/C15H20O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2-3,7-8H,1,4-6,9-12H2
InChIKeyFNBUDXHQHDNQLX-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one 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 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one?
The IUPAC name of 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one (CID 75076980) is 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one.
What is the SMILES notation for 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one?
The canonical SMILES for 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one is C=CC=CC(=O)C1=CCCC2(CCCC2)C1.
What is the InChIKey of 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one?
The InChIKey is FNBUDXHQHDNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-3-8-14(16)13-7-6-11-15(12-13)9-4-5-10-15/h2-3,7-8H,1,4-6,9-12H2.
What are the key properties of 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one?
1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-spiro[4.5]dec-8-en-9-ylpenta-2,4-dien-1-one is sourced from PubChem (CID 75076980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).