3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one

C13H14N2O — CID 6621574

IUPAC3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccccc1
InChIInChI=1S/C13H14N2O/c16-12-11(10-6-2-1-3-7-10)14-13(15-12)8-4-5-9-13/h1-3,6-7H,4-5,8-9H2,(H,15,16)
InChIKeySCYOIQHZNDYTFY-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.88
Rot. Bonds1

About 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one

3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one (PubChem CID 6621574) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one
PubChem CID6621574
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one
SMILESO=C1NC2(CCCC2)N=C1c1ccccc1
InChIInChI=1S/C13H14N2O/c16-12-11(10-6-2-1-3-7-10)14-13(15-12)8-4-5-9-13/h1-3,6-7H,4-5,8-9H2,(H,15,16)
InChIKeySCYOIQHZNDYTFY-UHFFFAOYSA-N
XLogP1.88
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one (CID 6621574) is 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one is O=C1NC2(CCCC2)N=C1c1ccccc1.
What is the InChIKey of 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one?
The InChIKey is SCYOIQHZNDYTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-12-11(10-6-2-1-3-7-10)14-13(15-12)8-4-5-9-13/h1-3,6-7H,4-5,8-9H2,(H,15,16).
What are the key properties of 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one?
3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,4-diazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 6621574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).