(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione

C15H16N2O2 — CID 102381641

IUPAC(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione
SMILESO=C1N[C@@]2(CC=CCC2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C15H16N2O2/c18-13-12(11-7-3-1-4-8-11)16-14(19)15(17-13)9-5-2-6-10-15/h1-5,7-8,12H,6,9-10H2,(H,16,19)(H,17,18)/t12-,15+/m0/s1
InChIKeyQFMFJYGAKRBUHN-SWLSCSKDSA-N
MW256.31 g/mol
LogP1.45
Rot. Bonds1

About (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione

(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione (PubChem CID 102381641) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione
PubChem CID102381641
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione
SMILESO=C1N[C@@]2(CC=CCC2)C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C15H16N2O2/c18-13-12(11-7-3-1-4-8-11)16-14(19)15(17-13)9-5-2-6-10-15/h1-5,7-8,12H,6,9-10H2,(H,16,19)(H,17,18)/t12-,15+/m0/s1
InChIKeyQFMFJYGAKRBUHN-SWLSCSKDSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
CID 121207256
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
(3S,4S)-3-fluoro-4-phenylazetidin-2-one
CID 101430981
6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 140892299
(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 135285970
(7S)-7-amino-6-phenyl-5-azaspiro[2.4]heptan-4-one
CID 154993875
2-phenyl-2,4-dihydro-1H-thieno[3,4-b]pyrazin-3-one
CID 82376382
2,2-diethyl-5-phenylimidazolidin-4-one
CID 54172527
(1R)-1-phenyl-2-azaspiro[3.4]octan-3-one
CID 125180932
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 58398991

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione?
The IUPAC name of (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione (CID 102381641) is (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione.
What is the SMILES notation for (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione?
The canonical SMILES for (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione is O=C1N[C@@]2(CC=CCC2)C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione?
The InChIKey is QFMFJYGAKRBUHN-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-13-12(11-7-3-1-4-8-11)16-14(19)15(17-13)9-5-2-6-10-15/h1-5,7-8,12H,6,9-10H2,(H,16,19)(H,17,18)/t12-,15+/m0/s1.
What are the key properties of (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione?
(3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione has a molecular weight of 256.31 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-phenyl-1,4-diazaspiro[5.5]undec-9-ene-2,5-dione is sourced from PubChem (CID 102381641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).