9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one

C17H20N2O2 — CID 164682381

IUPAC9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
SMILESCC(=O)N1CCC2(C=C(c3ccccc3)CC(=O)N2)CC1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-9-7-17(8-10-19)12-15(11-16(21)18-17)14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,18,21)
InChIKeyZOXUBTDEZZZDSQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds1

About 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one

9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one (PubChem CID 164682381) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one.

Molecular Properties

Compound Name9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
PubChem CID164682381
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
SMILESCC(=O)N1CCC2(C=C(c3ccccc3)CC(=O)N2)CC1
InChIInChI=1S/C17H20N2O2/c1-13(20)19-9-7-17(8-10-19)12-15(11-16(21)18-17)14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,18,21)
InChIKeyZOXUBTDEZZZDSQ-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-6-azaspiro[4.5]dec-9-en-7-one
CID 164682927
9-benzyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one
CID 164682604
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
1-acetyl-4-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 82304051
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone
CID 19375487
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 97324717
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
ethane;1-spiro[9H-anthracene-10,4'-piperidine]-1'-ylethanone
CID 90873520
2-(4-acetylpiperazin-1-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136780047
1-[(3aR,7aS)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 124522375
1-[(3aR,7aR)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 98779316

Frequently Asked Questions

What is the IUPAC name of 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The IUPAC name of 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one (CID 164682381) is 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one.
What is the SMILES notation for 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The canonical SMILES for 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one is CC(=O)N1CCC2(C=C(c3ccccc3)CC(=O)N2)CC1.
What is the InChIKey of 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
The InChIKey is ZOXUBTDEZZZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)19-9-7-17(8-10-19)12-15(11-16(21)18-17)14-5-3-2-4-6-14/h2-6,12H,7-11H2,1H3,(H,18,21).
What are the key properties of 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one?
9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one has a molecular weight of 284.36 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-acetyl-4-phenyl-1,9-diazaspiro[5.5]undec-4-en-2-one is sourced from PubChem (CID 164682381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).