1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one

C9H12O2 — CID 130029388

IUPAC1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one
SMILESCOC12CCC1C(C)=CC2=O
InChIInChI=1S/C9H12O2/c1-6-5-8(10)9(11-2)4-3-7(6)9/h5,7H,3-4H2,1-2H3
InChIKeyLJJMISMIRKSGPQ-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.31
Rot. Bonds1

About 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one

1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one (PubChem CID 130029388) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one.

Molecular Properties

Compound Name1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one
PubChem CID130029388
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one
SMILESCOC12CCC1C(C)=CC2=O
InChIInChI=1S/C9H12O2/c1-6-5-8(10)9(11-2)4-3-7(6)9/h5,7H,3-4H2,1-2H3
InChIKeyLJJMISMIRKSGPQ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 10997098
(1S,5R,7R)-7-methoxy-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 21638331
7-Methoxy-7-methylbicyclo[3.2.0]hept-2-en-6-one
CID 73818566
(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 102121899
Cyclohepten-1-yl-(1-methoxycyclopentyl)methanone
CID 106652202
Cycloocten-1-yl-(1-methoxycyclobutyl)methanone
CID 106652208
Cyclohepten-1-yl-(1-methoxycyclobutyl)methanone
CID 106652209
Cyclohexen-1-yl-(1-methoxycyclobutyl)methanone
CID 106652210
1-(Cyclohepten-1-yl)-2-methoxy-2-methylbutan-1-one
CID 106652244
1-(Cyclohepten-1-yl)-2-ethyl-2-methoxybutan-1-one
CID 106652252
1-(1-Methoxycyclohexyl)-3-methylbut-2-en-1-one
CID 116748077
1-(1-Methoxycycloheptyl)-3-methylbut-2-en-1-one
CID 116750501

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The IUPAC name of 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one (CID 130029388) is 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one.
What is the SMILES notation for 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The canonical SMILES for 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one is COC12CCC1C(C)=CC2=O.
What is the InChIKey of 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one?
The InChIKey is LJJMISMIRKSGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6-5-8(10)9(11-2)4-3-7(6)9/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one?
1-methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one has a molecular weight of 152.19 g/mol, XLogP of 1.31, 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[3.2.0]hept-3-en-2-one is sourced from PubChem (CID 130029388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).