(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one

C8H10O2 — CID 131071196

IUPAC(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
SMILESCO[C@@H]1C(=O)C[C@@H]2C=C[C@H]12
InChIInChI=1S/C8H10O2/c1-10-8-6-3-2-5(6)4-7(8)9/h2-3,5-6,8H,4H2,1H3/t5-,6-,8-/m0/s1
InChIKeyOCFRPERTFFMTKN-HAFWLYHUSA-N
MW138.17 g/mol
LogP0.78
Rot. Bonds1

About (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one

(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one (PubChem CID 131071196) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one.

Molecular Properties

Compound Name(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
PubChem CID131071196
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
SMILESCO[C@@H]1C(=O)C[C@@H]2C=C[C@H]12
InChIInChI=1S/C8H10O2/c1-10-8-6-3-2-5(6)4-7(8)9/h2-3,5-6,8H,4H2,1H3/t5-,6-,8-/m0/s1
InChIKeyOCFRPERTFFMTKN-HAFWLYHUSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5R,7R)-7-methoxybicyclo[3.2.0]hept-2-en-6-one
CID 10909631
2-Methoxybicyclo[3.2.0]hept-6-en-3-one
CID 14906869
1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 23269150
(1S,5S)-1-Ethoxybicyclo[3.2.0]hept-6-en-2-one
CID 71372559
(1R,2S,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600527
(1R,2R,5S)-2-methoxybicyclo[3.2.0]hept-6-en-3-one
CID 101600528
(1S,6R,8R)-8-methoxy-8-methylbicyclo[4.2.1]nona-2,4-dien-7-one
CID 130831597

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one?
The IUPAC name of (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one (CID 131071196) is (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one.
What is the SMILES notation for (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one?
The canonical SMILES for (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one is CO[C@@H]1C(=O)C[C@@H]2C=C[C@H]12.
What is the InChIKey of (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one?
The InChIKey is OCFRPERTFFMTKN-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H10O2/c1-10-8-6-3-2-5(6)4-7(8)9/h2-3,5-6,8H,4H2,1H3/t5-,6-,8-/m0/s1.
What are the key properties of (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one?
(1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-2-methoxybicyclo[3.2.0]hept-6-en-3-one is sourced from PubChem (CID 131071196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).