3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile

C14H16N4 — CID 177254086

IUPAC3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)NC12CCCC2
InChIInChI=1S/C14H16N4/c15-10-12-13(16)18(11-6-2-1-3-7-11)17-14(12)8-4-5-9-14/h1-3,6-7,17H,4-5,8-9,16H2
InChIKeyZSPVFKHBCGVTBF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.02
Rot. Bonds1

About 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile

3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile (PubChem CID 177254086) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile
PubChem CID177254086
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile
SMILESN#CC1=C(N)N(c2ccccc2)NC12CCCC2
InChIInChI=1S/C14H16N4/c15-10-12-13(16)18(11-6-2-1-3-7-11)17-14(12)8-4-5-9-14/h1-3,6-7,17H,4-5,8-9,16H2
InChIKeyZSPVFKHBCGVTBF-UHFFFAOYSA-N
XLogP2.02
TPSA65.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile?
The IUPAC name of 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile (CID 177254086) is 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile.
What is the SMILES notation for 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile?
The canonical SMILES for 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile is N#CC1=C(N)N(c2ccccc2)NC12CCCC2.
What is the InChIKey of 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile?
The InChIKey is ZSPVFKHBCGVTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-10-12-13(16)18(11-6-2-1-3-7-11)17-14(12)8-4-5-9-14/h1-3,6-7,17H,4-5,8-9,16H2.
What are the key properties of 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile?
3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile has a molecular weight of 240.31 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenyl-1,2-diazaspiro[4.4]non-3-ene-4-carbonitrile is sourced from PubChem (CID 177254086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).