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

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Related Compounds

propan-2-yl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450693
(4-methoxyphenyl) 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450663
dimethyl (1R,2R,4R,8R,9S,10S,11R,12S,13R,17R)-7,14-dioxopentacyclo[10.6.0.02,9.04,8.013,17]octadecane-10,11-dicarboxylate
CID 124793417
2-methylpropyl (1R,5S,6R)-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22081518
(6S)-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 66902185
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl 2-cyclopentyl-3-oxocyclopentane-1-carboxylate
CID 21443736
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
1-phenylpropyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450692
(2,4-dimethoxyphenyl)methyl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450684
methyl (1S,3R,3aS,6aR)-6-oxo-1-phenyl-2,3,3a,4,5,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylate
CID 11414259
dimethyl (1R,8S)-tetracyclo[6.6.2.02,7.09,14]hexadec-2(7)-ene-15,16-dicarboxylate
CID 24870511

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).