9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile

C11H14N2O — CID 162442347

IUPAC9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile
SMILESN#CC1=CC2(CCNCC2)CCC1=O
InChIInChI=1S/C11H14N2O/c12-8-9-7-11(2-1-10(9)14)3-5-13-6-4-11/h7,13H,1-6H2
InChIKeyYXGMDTYZEGTYKK-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.17
Rot. Bonds

About 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile

9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile (PubChem CID 162442347) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile.

Molecular Properties

Compound Name9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile
PubChem CID162442347
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile
SMILESN#CC1=CC2(CCNCC2)CCC1=O
InChIInChI=1S/C11H14N2O/c12-8-9-7-11(2-1-10(9)14)3-5-13-6-4-11/h7,13H,1-6H2
InChIKeyYXGMDTYZEGTYKK-UHFFFAOYSA-N
XLogP1.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The IUPAC name of 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile (CID 162442347) is 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile.
What is the SMILES notation for 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The canonical SMILES for 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile is N#CC1=CC2(CCNCC2)CCC1=O.
What is the InChIKey of 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile?
The InChIKey is YXGMDTYZEGTYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-8-9-7-11(2-1-10(9)14)3-5-13-6-4-11/h7,13H,1-6H2.
What are the key properties of 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile?
9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxo-3-azaspiro[5.5]undec-10-ene-10-carbonitrile is sourced from PubChem (CID 162442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).