1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one

C10H12O — CID 15628269

IUPAC1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one
SMILESC=C1CC2(C)C=CC1CC2=O
InChIInChI=1S/C10H12O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h3-4,8H,1,5-6H2,2H3
InChIKeyGSAYRQBUKDCXOA-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.10
Rot. Bonds

About 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one

1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one (PubChem CID 15628269) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one.

Molecular Properties

Compound Name1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one
PubChem CID15628269
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one
SMILESC=C1CC2(C)C=CC1CC2=O
InChIInChI=1S/C10H12O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h3-4,8H,1,5-6H2,2H3
InChIKeyGSAYRQBUKDCXOA-UHFFFAOYSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,7,7-trimethyl-5-methylidenebicyclo[2.2.1]heptan-2-one
CID 71400479
(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
CID 130922997
(1S,3S,4S)-3-(2-bromo-3-hydroxy-3-methylbutyl)-1,3-dimethyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one
CID 10806093
4,6a-dimethyl-5-methylidene-3,3a,4,6-tetrahydro-1H-pentalen-2-one
CID 20645018
6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodec-2-en-7-one
CID 73311102
3,4,5,6-tetrafluoro-8-methoxytricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraen-9-one
CID 3926875
2,2-dimethyl-3-methylidenecyclopentan-1-one
CID 130031210
2,2,3,3-tetramethyl-4-methylidenecyclopentan-1-one
CID 126682242
2,2,6-trimethyltricyclo[4.3.0.01,3]non-4-en-7-one
CID 577061
4-ethylbicyclo[2.2.1]hept-5-en-2-one
CID 150263505
3,3-dimethyl-6-methylidene-4,4a,5,8a-tetrahydro-2H-naphthalen-1-one
CID 101062057
(1R,4R)-8,8-dimethylbicyclo[2.2.2]oct-5-en-2-one
CID 10678411

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one?
The IUPAC name of 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one (CID 15628269) is 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one.
What is the SMILES notation for 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one?
The canonical SMILES for 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one is C=C1CC2(C)C=CC1CC2=O.
What is the InChIKey of 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one?
The InChIKey is GSAYRQBUKDCXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-6-10(2)4-3-8(7)5-9(10)11/h3-4,8H,1,5-6H2,2H3.
What are the key properties of 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one?
1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one has a molecular weight of 148.20 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-methylidenebicyclo[2.2.2]oct-5-en-2-one is sourced from PubChem (CID 15628269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).