methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate

C10H15NO2 — CID 105439481

IUPACmethyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate
SMILESCOC(=O)C1NC2(CC2)CC2CC21
InChIInChI=1S/C10H15NO2/c1-13-9(12)8-7-4-6(7)5-10(11-8)2-3-10/h6-8,11H,2-5H2,1H3
InChIKeySVTAYWPTYBKFMR-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.69
Rot. Bonds1

About methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate

methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate (PubChem CID 105439481) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate.

Molecular Properties

Compound Namemethyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate
PubChem CID105439481
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate
SMILESCOC(=O)C1NC2(CC2)CC2CC21
InChIInChI=1S/C10H15NO2/c1-13-9(12)8-7-4-6(7)5-10(11-8)2-3-10/h6-8,11H,2-5H2,1H3
InChIKeySVTAYWPTYBKFMR-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate?
The IUPAC name of methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate (CID 105439481) is methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate.
What is the SMILES notation for methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate?
The canonical SMILES for methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate is COC(=O)C1NC2(CC2)CC2CC21.
What is the InChIKey of methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate?
The InChIKey is SVTAYWPTYBKFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-9(12)8-7-4-6(7)5-10(11-8)2-3-10/h6-8,11H,2-5H2,1H3.
What are the key properties of methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate?
methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl spiro[3-azabicyclo[4.1.0]heptane-4,1'-cyclopropane]-2-carboxylate is sourced from PubChem (CID 105439481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).