(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one

C8H8O2 — CID 102577164

IUPAC(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=C[C@@H]2C=CC(=O)[C@H]12
InChIInChI=1S/C8H8O2/c1-10-7-4-5-2-3-6(9)8(5)7/h2-5,8H,1H3/t5-,8+/m0/s1
InChIKeyGLJNSSRHASKMGI-YLWLKBPMSA-N
MW136.15 g/mol
LogP0.90
Rot. Bonds1

About (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one

(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one (PubChem CID 102577164) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one.

Molecular Properties

Compound Name(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
PubChem CID102577164
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
SMILESCOC1=C[C@@H]2C=CC(=O)[C@H]12
InChIInChI=1S/C8H8O2/c1-10-7-4-5-2-3-6(9)8(5)7/h2-5,8H,1H3/t5-,8+/m0/s1
InChIKeyGLJNSSRHASKMGI-YLWLKBPMSA-N
XLogP0.90
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 ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxybicyclo[3,2,0)hepta-3,6-diene-2-one
CID 86250274
(1R,5R)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 102577165
3-Methoxy-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 134894905
7-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936376
3-Methoxy-5-propan-2-ylcyclopent-2-en-1-one
CID 21676995
7-Methoxy-5-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11480785
Methyl 2-methyl-5-oxocyclopent-3-ene-1-carboxylate
CID 45083088
7-Ethoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 45090853
(4S,5S)-3-Methoxy-4-methyl-5-(prop-2-en-1-yl)cyclopent-2-en-1-one
CID 71411841
3-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85705106
7-(2-Methylbutoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85778934
7-[(2S)-2-methylbutoxy]bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 101012189

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The IUPAC name of (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one (CID 102577164) is (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one.
What is the SMILES notation for (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The canonical SMILES for (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one is COC1=C[C@@H]2C=CC(=O)[C@H]12.
What is the InChIKey of (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
The InChIKey is GLJNSSRHASKMGI-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H8O2/c1-10-7-4-5-2-3-6(9)8(5)7/h2-5,8H,1H3/t5-,8+/m0/s1.
What are the key properties of (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one?
(1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-7-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one is sourced from PubChem (CID 102577164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).