1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one

C8H8O2 — CID 139683093

IUPAC1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one
SMILESCOC12CC=C1C=CC2=O
InChIInChI=1S/C8H8O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-4H,5H2,1H3
InChIKeyLTJBLXXOPNUNKD-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.84
Rot. Bonds1

About 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one

1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one (PubChem CID 139683093) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one.

Molecular Properties

Compound Name1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one
PubChem CID139683093
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one
SMILESCOC12CC=C1C=CC2=O
InChIInChI=1S/C8H8O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-4H,5H2,1H3
InChIKeyLTJBLXXOPNUNKD-UHFFFAOYSA-N
XLogP0.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxybicyclo(3.2.0)hepta-3,6-dien-2-one
CID 134779
2-Ethyl-2-methyl-6-methylidenepyran-3-one
CID 20695155
1-[(1S)-1-methoxycyclohexa-2,4-dien-1-yl]ethanone
CID 67944620
1-(1-Methoxycyclohexa-2,4-dien-1-yl)ethanone
CID 77383129
6-Methoxy-4,6-dimethylcyclohexa-2,4-dien-1-one
CID 12242283
6-Methoxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
CID 12248391
6-Ethoxy-5,6-dimethylcyclohexa-2,4-dien-1-one
CID 12264342
(1S,5R)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936374
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
1-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 13674082
6-Methoxy-6-methylcyclohexa-2,4-dien-1-one
CID 100936308
1-Propan-2-yloxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101027128

Frequently Asked Questions

What is the IUPAC name of 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one?
The IUPAC name of 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one (CID 139683093) is 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one.
What is the SMILES notation for 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one?
The canonical SMILES for 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one is COC12CC=C1C=CC2=O.
What is the InChIKey of 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one?
The InChIKey is LTJBLXXOPNUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-4H,5H2,1H3.
What are the key properties of 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one?
1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybicyclo[3.2.0]hepta-3,5-dien-2-one is sourced from PubChem (CID 139683093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).