3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one

C14H16N2O — CID 3242855

IUPAC3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1ccccc1
InChIInChI=1S/C14H16N2O/c17-13-12(11-7-3-1-4-8-11)15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)
InChIKeyXZKWZMSPSMVVCZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.27
Rot. Bonds1

About 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one

3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one (PubChem CID 3242855) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
PubChem CID3242855
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCCCC2)N=C1c1ccccc1
InChIInChI=1S/C14H16N2O/c17-13-12(11-7-3-1-4-8-11)15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17)
InChIKeyXZKWZMSPSMVVCZ-UHFFFAOYSA-N
XLogP2.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.27
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[4.5]dec-3-en-2-one?
The IUPAC name of 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one (CID 3242855) is 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one is O=C1NC2(CCCCC2)N=C1c1ccccc1.
What is the InChIKey of 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
The InChIKey is XZKWZMSPSMVVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-13-12(11-7-3-1-4-8-11)15-14(16-13)9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-10H2,(H,16,17).
What are the key properties of 3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one?
3-phenyl-1,4-diazaspiro[4.5]dec-3-en-2-one has a molecular weight of 228.30 g/mol, XLogP of 2.27, 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[4.5]dec-3-en-2-one is sourced from PubChem (CID 3242855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).