8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C14H20N2O2 — CID 97493677

IUPAC8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)C3CC=CC3)CC2)N1
InChIInChI=1S/C14H20N2O2/c17-12-5-6-14(15-12)7-9-16(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,15,17)
InChIKeyPJVXPAYOOJWJTK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.22
Rot. Bonds1

About 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493677) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493677
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCN(C(=O)C3CC=CC3)CC2)N1
InChIInChI=1S/C14H20N2O2/c17-12-5-6-14(15-12)7-9-16(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,15,17)
InChIKeyPJVXPAYOOJWJTK-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-[(1S,2R)-2-methylcyclopropanecarbonyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 97450527
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
CID 66082955
(5R)-9-[(2R)-oxolane-2-carbonyl]-1,9-diazaspiro[4.6]undecan-2-one
CID 97484681
(5S)-9-(5-methyl-1,2-oxazole-4-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484678
cyclopent-3-en-1-yl-(4,4-dimethylazepan-1-yl)methanone
CID 71929830
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
9-(furan-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645770
8-(4-hydroxy-2-methylbenzoyl)-1,8-diazaspiro[4.5]decan-2-one
CID 77094670
2-[2-[3-chloro-4-(trifluoromethyl)phenyl]-7-azaspiro[3.5]nonane-7-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864623
1-(2-oxo-1,9-diazaspiro[4.6]undecane-9-carbonyl)cyclopentane-1-carbonitrile
CID 131683867
9-(pyridazine-4-carbonyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 97450518
2-[4-(4-butan-2-ylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
CID 156864450

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493677) is 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCN(C(=O)C3CC=CC3)CC2)N1.
What is the InChIKey of 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PJVXPAYOOJWJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-12-5-6-14(15-12)7-9-16(10-8-14)13(18)11-3-1-2-4-11/h1-2,11H,3-10H2,(H,15,17).
What are the key properties of 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopent-3-ene-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).