methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate

C15H16N2O2 — CID 10879707

IUPACmethyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate
SMILESCOC(=O)C12CN1CCCC21C=Nc2ccccc21
InChIInChI=1S/C15H16N2O2/c1-19-13(18)15-10-17(15)8-4-7-14(15)9-16-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyOQIXTPFEAGVFCL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.66
Rot. Bonds1

About methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate

methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate (PubChem CID 10879707) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate.

Molecular Properties

Compound Namemethyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate
PubChem CID10879707
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate
SMILESCOC(=O)C12CN1CCCC21C=Nc2ccccc21
InChIInChI=1S/C15H16N2O2/c1-19-13(18)15-10-17(15)8-4-7-14(15)9-16-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,10H2,1H3
InChIKeyOQIXTPFEAGVFCL-UHFFFAOYSA-N
XLogP1.66
TPSA41.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate?
The IUPAC name of methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate (CID 10879707) is methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate.
What is the SMILES notation for methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate?
The canonical SMILES for methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate is COC(=O)C12CN1CCCC21C=Nc2ccccc21.
What is the InChIKey of methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate?
The InChIKey is OQIXTPFEAGVFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-13(18)15-10-17(15)8-4-7-14(15)9-16-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,10H2,1H3.
What are the key properties of methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate?
methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate has a molecular weight of 256.31 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl spiro[1-azabicyclo[4.1.0]heptane-5,3'-indole]-6-carboxylate is sourced from PubChem (CID 10879707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).