5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one

C15H20O — CID 10954975

IUPAC5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one
SMILESC=C1CC2CCCCC2=C2CCC(=O)C2C1
InChIInChI=1S/C15H20O/c1-10-8-11-4-2-3-5-12(11)13-6-7-15(16)14(13)9-10/h11,14H,1-9H2
InChIKeyJBFOKTACKPQBOK-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.80
Rot. Bonds

About 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one

5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one (PubChem CID 10954975) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one.

Molecular Properties

Compound Name5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one
PubChem CID10954975
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one
SMILESC=C1CC2CCCCC2=C2CCC(=O)C2C1
InChIInChI=1S/C15H20O/c1-10-8-11-4-2-3-5-12(11)13-6-7-15(16)14(13)9-10/h11,14H,1-9H2
InChIKeyJBFOKTACKPQBOK-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one with MolForge

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Related Compounds

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CID 102594203
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CID 15273444
(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
CID 13235573
(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydronaphthalene-1,4-dione
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5,6-dimethylbicyclo[2.2.2]oct-5-en-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one?
The IUPAC name of 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one (CID 10954975) is 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one.
What is the SMILES notation for 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one?
The canonical SMILES for 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one is C=C1CC2CCCCC2=C2CCC(=O)C2C1.
What is the InChIKey of 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one?
The InChIKey is JBFOKTACKPQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-10-8-11-4-2-3-5-12(11)13-6-7-15(16)14(13)9-10/h11,14H,1-9H2.
What are the key properties of 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one?
5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one has a molecular weight of 216.32 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1,2,3a,4,6,6a,7,8,9,10-decahydrobenzo[e]azulen-3-one is sourced from PubChem (CID 10954975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).