methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate

C8H10O3 — CID 130028820

IUPACmethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2CC(=O)CC21
InChIInChI=1S/C8H10O3/c1-11-8(10)7-5-2-4(9)3-6(5)7/h5-7H,2-3H2,1H3
InChIKeyHACJDPLJLRHPAM-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.38
Rot. Bonds1

About methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate

methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 130028820) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID130028820
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Namemethyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCOC(=O)C1C2CC(=O)CC21
InChIInChI=1S/C8H10O3/c1-11-8(10)7-5-2-4(9)3-6(5)7/h5-7H,2-3H2,1H3
InChIKeyHACJDPLJLRHPAM-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 130028820) is methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate is COC(=O)C1C2CC(=O)CC21.
What is the InChIKey of methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is HACJDPLJLRHPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-11-8(10)7-5-2-4(9)3-6(5)7/h5-7H,2-3H2,1H3.
What are the key properties of methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate?
methyl 3-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 3-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 130028820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).