spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile

C13H14N2O — CID 70984337

IUPACspiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCNCC1)CO2
InChIInChI=1S/C13H14N2O/c14-8-10-1-2-12-11(7-10)13(9-16-12)3-5-15-6-4-13/h1-2,7,15H,3-6,9H2
InChIKeyBWFJEOPYZUBFRM-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.57
Rot. Bonds

About spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile

spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile (PubChem CID 70984337) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile.

Molecular Properties

Compound Namespiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile
PubChem CID70984337
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Namespiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(CCNCC1)CO2
InChIInChI=1S/C13H14N2O/c14-8-10-1-2-12-11(7-10)13(9-16-12)3-5-15-6-4-13/h1-2,7,15H,3-6,9H2
InChIKeyBWFJEOPYZUBFRM-UHFFFAOYSA-N
XLogP1.57
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile?
The IUPAC name of spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile (CID 70984337) is spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile.
What is the SMILES notation for spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile?
The canonical SMILES for spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile is N#Cc1ccc2c(c1)C1(CCNCC1)CO2.
What is the InChIKey of spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile?
The InChIKey is BWFJEOPYZUBFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-10-1-2-12-11(7-10)13(9-16-12)3-5-15-6-4-13/h1-2,7,15H,3-6,9H2.
What are the key properties of spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile?
spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2H-1-benzofuran-3,4'-piperidine]-5-carbonitrile is sourced from PubChem (CID 70984337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).