10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione

C15H16O2 — CID 163232750

IUPAC10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
SMILESC=C1CCCC2C=CC(=O)C3=C(C(=O)CC3)C12
InChIInChI=1S/C15H16O2/c1-9-3-2-4-10-5-7-12(16)11-6-8-13(17)15(11)14(9)10/h5,7,10,14H,1-4,6,8H2
InChIKeyYKPCZSCPZMSOJJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.76
Rot. Bonds

About 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione

10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione (PubChem CID 163232750) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione.

Molecular Properties

Compound Name10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
PubChem CID163232750
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione
SMILESC=C1CCCC2C=CC(=O)C3=C(C(=O)CC3)C12
InChIInChI=1S/C15H16O2/c1-9-3-2-4-10-5-7-12(16)11-6-8-13(17)15(11)14(9)10/h5,7,10,14H,1-4,6,8H2
InChIKeyYKPCZSCPZMSOJJ-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione with MolForge

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Related Compounds

5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
CID 175558518
5-ethoxy-9-methylidene-2,3,5,5a,6,7,8,9a-octahydrocyclopenta[c]isochromen-1-one;prop-1-ene
CID 163232776
8,9,10-trimethylidene-2,3,4,4a,5,6,7,8a,9a,10a-decahydro-1H-anthracene
CID 175560244
1-methylidene-2-(trifluoromethyl)cyclopentane
CID 18520883
tricyclo[6.2.1.02,7]undec-2(7)-ene-3,6-dione
CID 13070254
(2-methylidenecyclopentyl)oxysilane
CID 174655189
1-iodo-2-methylidenecyclopentane
CID 147335853
3-methyl-3,3a,5,6,7,7a-hexahydroinden-4-one
CID 12723384
tricyclo[10.2.1.02,11]pentadeca-2(11),13-dien-3-one
CID 15372414
4b,5,6,7,8,8a-hexahydrobiphenylene-1,4-dione
CID 12616638
(3S,6S)-tricyclo[6.2.0.03,6]dec-1(8)-ene-2,7-dione
CID 134158456
2-(2-methylidenecyclohexyl)isoindole-1,3-dione
CID 86708961

Frequently Asked Questions

What is the IUPAC name of 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione?
The IUPAC name of 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione (CID 163232750) is 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione.
What is the SMILES notation for 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione?
The canonical SMILES for 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione is C=C1CCCC2C=CC(=O)C3=C(C(=O)CC3)C12.
What is the InChIKey of 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione?
The InChIKey is YKPCZSCPZMSOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-3-2-4-10-5-7-12(16)11-6-8-13(17)15(11)14(9)10/h5,7,10,14H,1-4,6,8H2.
What are the key properties of 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione?
10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione has a molecular weight of 228.29 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidene-3,6a,7,8,9,10a-hexahydro-2H-benzo[h]azulene-1,4-dione is sourced from PubChem (CID 163232750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).