methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate

C8H10O3 — CID 130877712

IUPACmethyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2CCC(=O)[C@H]21
InChIInChI=1S/C8H10O3/c1-11-8(10)7-4-2-3-5(9)6(4)7/h4,6-7H,2-3H2,1H3/t4-,6+,7+/m1/s1
InChIKeyMSEDOBQADLDSPC-PIYBLCFFSA-N
MW154.16 g/mol
LogP0.38
Rot. Bonds1

About methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate

methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 130877712) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID130877712
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)[C@H]1[C@@H]2CCC(=O)[C@H]21
InChIInChI=1S/C8H10O3/c1-11-8(10)7-4-2-3-5(9)6(4)7/h4,6-7H,2-3H2,1H3/t4-,6+,7+/m1/s1
InChIKeyMSEDOBQADLDSPC-PIYBLCFFSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 130877712) is methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate is COC(=O)[C@H]1[C@@H]2CCC(=O)[C@H]21.
What is the InChIKey of methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is MSEDOBQADLDSPC-PIYBLCFFSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-8(10)7-4-2-3-5(9)6(4)7/h4,6-7H,2-3H2,1H3/t4-,6+,7+/m1/s1.
What are the key properties of methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 154.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5R,6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 130877712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).