1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one

C10H14O2 — CID 130030589

IUPAC1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
SMILESCOC12CCC(C1)C(C)=CC2=O
InChIInChI=1S/C10H14O2/c1-7-5-9(11)10(12-2)4-3-8(7)6-10/h5,8H,3-4,6H2,1-2H3
InChIKeyWHZLMACZOOASDF-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds1

About 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one

1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one (PubChem CID 130030589) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one.

Molecular Properties

Compound Name1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
PubChem CID130030589
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one
SMILESCOC12CCC(C1)C(C)=CC2=O
InChIInChI=1S/C10H14O2/c1-7-5-9(11)10(12-2)4-3-8(7)6-10/h5,8H,3-4,6H2,1-2H3
InChIKeyWHZLMACZOOASDF-UHFFFAOYSA-N
XLogP1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one with MolForge

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Related Compounds

Methoxytetrahydroindanone
CID 129813799
1-Methoxy-4-methylbicyclo(3.2.2)nona-3,6-dien-2-one
CID 101320307
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxy]-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122298
2-methyl-2-[(2-methylpropan-2-yl)oxy]-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122409
2-ethyl-2-[(2-methylpropan-2-yl)oxy]-3,6,7,7a-tetrahydro-1H-inden-5-one
CID 68122709
(1R,8R)-8-methoxy-2-methyltricyclo[6.2.1.01,5]undec-5-en-7-one
CID 10954729
(1R,9R)-9-methoxytricyclo[7.2.1.01,6]dodec-6-en-8-one
CID 10998193
(1R,8R)-8-methoxytricyclo[6.2.1.01,5]undec-5-en-7-one
CID 11137980
1-(2-Methoxy-2-bicyclo[2.2.1]hept-5-enyl)ethanone
CID 12671102
(1S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-one
CID 14451853
2-Methoxy-1-(4-methylcyclohexen-1-yl)ethanone
CID 103450967
Cycloocten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652201

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The IUPAC name of 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one (CID 130030589) is 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one.
What is the SMILES notation for 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The canonical SMILES for 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one is COC12CCC(C1)C(C)=CC2=O.
What is the InChIKey of 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
The InChIKey is WHZLMACZOOASDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-5-9(11)10(12-2)4-3-8(7)6-10/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one?
1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methylbicyclo[3.2.1]oct-3-en-2-one is sourced from PubChem (CID 130030589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).