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

C8H10O2 — CID 10997098

IUPAC(1S,5R)-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-/m0/s1
InChIKeyRCQICWIEDZORJU-XPUUQOCRSA-N
MW138.17 g/mol
LogP0.92
Rot. Bonds1

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

(1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one (PubChem CID 10997098) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one.

Molecular Properties

Compound Name(1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
PubChem CID10997098
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,5R)-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-/m0/s1
InChIKeyRCQICWIEDZORJU-XPUUQOCRSA-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

6-Methoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 54415987
(1S,5R,7R)-7-methoxybicyclo[3.2.0]hept-2-en-6-one
CID 10909631
1-Methoxy-7-methylbicyclo[4.2.1]nona-3,7-dien-2-one
CID 13572586
(1S,5S)-1-methoxybicyclo[3.2.1]oct-3-en-2-one
CID 14451853
(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
3-Methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 85705106
5-Methoxy-5-methylcyclohept-2-en-1-one
CID 85739862
(1R,5S)-1-methoxybicyclo[3.2.0]hept-3-en-2-one
CID 102121899
1-Methoxy-4-propan-2-ylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 130028677
1-Methoxy-4-methylbicyclo[3.2.0]hept-3-en-2-one
CID 130029388
1-Methoxy-6-methylbicyclo[3.2.0]hepta-3,6-dien-2-one
CID 130029583

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The IUPAC name of (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one (CID 10997098) is (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one.
What is the SMILES notation for (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The canonical SMILES for (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one is CO[C@@]12CC[C@@H]1C=CC2=O.
What is the InChIKey of (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
The InChIKey is RCQICWIEDZORJU-XPUUQOCRSA-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-/m0/s1.
What are the key properties of (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one?
(1S,5R)-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 (1S,5R)-1-methoxybicyclo[3.2.0]hept-3-en-2-one is sourced from PubChem (CID 10997098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).