8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

C17H19N3O2 — CID 134795516

IUPAC8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)C(=O)NN=C2C1CC1
InChIInChI=1S/C17H19N3O2/c21-15(13-4-2-1-3-5-13)20-10-8-17(9-11-20)14(12-6-7-12)18-19-16(17)22/h1-5,12H,6-11H2,(H,19,22)
InChIKeyXZPJXXMMFDFJGY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.80
Rot. Bonds2

About 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one

8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 134795516) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID134795516
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESO=C(c1ccccc1)N1CCC2(CC1)C(=O)NN=C2C1CC1
InChIInChI=1S/C17H19N3O2/c21-15(13-4-2-1-3-5-13)20-10-8-17(9-11-20)14(12-6-7-12)18-19-16(17)22/h1-5,12H,6-11H2,(H,19,22)
InChIKeyXZPJXXMMFDFJGY-UHFFFAOYSA-N
XLogP1.80
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
5-(4-benzoylpiperazin-1-yl)-2,2-dimethylcyclopentan-1-one
CID 167867623
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
1'-(pyridine-3-carbonyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 97375619
(4S)-8-benzoyl-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470012
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
1'-(4-chlorobenzoyl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 56892371
(3S)-1'-(4-fluorobenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 95103577

Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 134795516) is 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is O=C(c1ccccc1)N1CCC2(CC1)C(=O)NN=C2C1CC1.
What is the InChIKey of 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is XZPJXXMMFDFJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-15(13-4-2-1-3-5-13)20-10-8-17(9-11-20)14(12-6-7-12)18-19-16(17)22/h1-5,12H,6-11H2,(H,19,22).
What are the key properties of 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one?
8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 297.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-1-cyclopropyl-2,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 134795516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).