2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione

C19H20N2O4 — CID 170908355

IUPAC2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC(=O)N1C(=O)C2(CC=C(C)CC2c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C19H20N2O4/c1-12-9-10-19(16(11-12)15-7-5-4-6-8-15)17(24)20(13(2)22)21(14(3)23)18(19)25/h4-9,16H,10-11H2,1-3H3
InChIKeyVGMKHEOUASBEJQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.18
Rot. Bonds1

About 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione

2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione (PubChem CID 170908355) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione.

Molecular Properties

Compound Name2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
PubChem CID170908355
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
SMILESCC(=O)N1C(=O)C2(CC=C(C)CC2c2ccccc2)C(=O)N1C(C)=O
InChIInChI=1S/C19H20N2O4/c1-12-9-10-19(16(11-12)15-7-5-4-6-8-15)17(24)20(13(2)22)21(14(3)23)18(19)25/h4-9,16H,10-11H2,1-3H3
InChIKeyVGMKHEOUASBEJQ-UHFFFAOYSA-N
XLogP2.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(hydrazinecarbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
CID 15446010
(2R,3S,5'R)-1',3-dimethyl-5'-phenylspiro[3H-indene-2,4'-cyclohexene]-1-one
CID 14610816
6-(4-chlorophenyl)-4-methylcyclohex-3-ene-1,1-dicarboxylic acid
CID 3870186
(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one
CID 11821650
diethyl 1,4-dimethyl-6-phenyl-5,6-dihydro-2H-azepine-7,7-dicarboxylate
CID 11439382
1-(3,5-diphenylpyrazole-1-carbonyl)-4-methyl-6-phenylcyclohex-3-ene-1-carboxylic acid
CID 12036244
(2S,6S)-1-acetyl-3,3-dimethyl-2,6-diphenylpiperidin-4-one
CID 139076949
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
8-methyl-6-(4-nitrophenyl)-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione
CID 11841610
(2R,3S,6S)-1-acetyl-2,3,6-triphenylpiperidin-4-one
CID 11894627
1,2,2-trimethyl-5-phenylpyrrolidin-3-one
CID 6420665
(1S,6S)-6-(4-fluorophenyl)-1-methoxycarbonyl-4-methylcyclohex-3-ene-1-carboxylic acid
CID 675391

Frequently Asked Questions

What is the IUPAC name of 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The IUPAC name of 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione (CID 170908355) is 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione.
What is the SMILES notation for 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The canonical SMILES for 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione is CC(=O)N1C(=O)C2(CC=C(C)CC2c2ccccc2)C(=O)N1C(C)=O.
What is the InChIKey of 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
The InChIKey is VGMKHEOUASBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-9-10-19(16(11-12)15-7-5-4-6-8-15)17(24)20(13(2)22)21(14(3)23)18(19)25/h4-9,16H,10-11H2,1-3H3.
What are the key properties of 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione?
2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione has a molecular weight of 340.38 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diacetyl-8-methyl-6-phenyl-2,3-diazaspiro[4.5]dec-8-ene-1,4-dione is sourced from PubChem (CID 170908355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).