(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one

C8H10O2 — CID 102121899

IUPAC(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
SMILESCO[C@]12CC[C@H]1C=CC2=O
InChIInChI=1S/C8H10O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-3,6H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyRCQICWIEDZORJU-HTRCEHHLSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds1

About (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one

(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one (PubChem CID 102121899) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one.

Molecular Properties

Compound Name(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
PubChem CID102121899
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
SMILESCO[C@]12CC[C@H]1C=CC2=O
InChIInChI=1S/C8H10O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-3,6H,4-5H2,1H3/t6-,8-/m1/s1
InChIKeyRCQICWIEDZORJU-HTRCEHHLSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 23310174
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
(1R,6S)-6-methoxybicyclo[4.2.0]octan-7-one
CID 131856385
(1R,5S,8R)-8-[(E)-4-bromo-3-methylbut-2-enyl]-1-hydroxy-8-methylbicyclo[3.2.1]oct-3-en-2-one
CID 10891879
tricyclo[6.3.0.01,5]undec-3-ene-2,10-dione
CID 11052184
2-(1-methoxy-3-bicyclo[4.1.0]hepta-2,4-dienyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 143445254
4,6,6-trimethylcyclohex-2-en-1-one
CID 10920581
1-methoxy-5-methylbicyclo[4.1.0]heptan-2-one
CID 130037006
(1S,6R)-1-methoxy-5,5-dimethylbicyclo[4.1.0]heptan-2-one
CID 130949681
(1R,5R,7R,8R)-1-hydroxy-7,8-dimethoxy-7,8-dimethyl-6,9-dioxaspiro[4.5]dec-2-en-4-one
CID 102406005
(1S,5R)-1-[2-(4-hydroxy-4-methoxycyclohexa-1,5-dien-1-yl)ethenyl]-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-one
CID 142768883
methyl (8S,9R,10R,13S,14S)-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylate
CID 67859726

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The IUPAC name of (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one (CID 102121899) is (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one.
What is the SMILES notation for (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The canonical SMILES for (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one is CO[C@]12CC[C@H]1C=CC2=O.
What is the InChIKey of (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The InChIKey is RCQICWIEDZORJU-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8-5-4-6(8)2-3-7(8)9/h2-3,6H,4-5H2,1H3/t6-,8-/m1/s1.
What are the key properties of (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one has a molecular weight of 138.17 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one is sourced from PubChem (CID 102121899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).