7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

C13H18N4O2 — CID 3161830

IUPAC7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#CC1C(=O)NC(N2CCOCC2)=NC12CCCC2
InChIInChI=1S/C13H18N4O2/c14-9-10-11(18)15-12(17-5-7-19-8-6-17)16-13(10)3-1-2-4-13/h10H,1-8H2,(H,15,16,18)
InChIKeyLWVGLYMJXFCCAE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.26
Rot. Bonds

About 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (PubChem CID 3161830) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.

Molecular Properties

Compound Name7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
PubChem CID3161830
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESN#CC1C(=O)NC(N2CCOCC2)=NC12CCCC2
InChIInChI=1S/C13H18N4O2/c14-9-10-11(18)15-12(17-5-7-19-8-6-17)16-13(10)3-1-2-4-13/h10H,1-8H2,(H,15,16,18)
InChIKeyLWVGLYMJXFCCAE-UHFFFAOYSA-N
XLogP0.26
TPSA77.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The IUPAC name of 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (CID 3161830) is 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.
What is the SMILES notation for 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The canonical SMILES for 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is N#CC1C(=O)NC(N2CCOCC2)=NC12CCCC2.
What is the InChIKey of 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The InChIKey is LWVGLYMJXFCCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-9-10-11(18)15-12(17-5-7-19-8-6-17)16-13(10)3-1-2-4-13/h10H,1-8H2,(H,15,16,18).
What are the key properties of 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is sourced from PubChem (CID 3161830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).