8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one

C15H23N3O2 — CID 97478703

IUPAC8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C15H23N3O2/c1-2-8-18-13(19)11-16-15(18)6-9-17(10-7-15)14(20)12-4-3-5-12/h2,12,16H,1,3-11H2
InChIKeySNJXWMKACBAZKI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.72
Rot. Bonds3

About 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one

8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 97478703) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID97478703
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C15H23N3O2/c1-2-8-18-13(19)11-16-15(18)6-9-17(10-7-15)14(20)12-4-3-5-12/h2,12,16H,1,3-11H2
InChIKeySNJXWMKACBAZKI-UHFFFAOYSA-N
XLogP0.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(Cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823943
2-Methyl-8-(3-methylbutanoyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823944
8-(Cyclobutanecarbonyl)-4-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 42823947
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 16317247
5-(2-Methylpropyl)-3-(2-propenyl)-2,4-imidazolidinedione
CID 4905117
5-Butan-2-yl-3-prop-2-enylimidazolidine-2,4-dione
CID 19078759
8-Pent-4-enoyl-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 67166345
3-Oxo-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decane-8-carboxylic acid
CID 68842121
3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decane-8-carbothioic S-acid
CID 87595084
(3-Oxo-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-8-yl)sulfanyl hydrogen carbonate
CID 87612585
(3-oxo-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-8-yl)sulfanyl N-propan-2-ylcarbamate
CID 87612710
(3-Oxo-2-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-8-yl)sulfanylformic acid
CID 87613430

Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 97478703) is 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is C=CCN1C(=O)CNC12CCN(C(=O)C1CCC1)CC2.
What is the InChIKey of 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is SNJXWMKACBAZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-8-18-13(19)11-16-15(18)6-9-17(10-7-15)14(20)12-4-3-5-12/h2,12,16H,1,3-11H2.
What are the key properties of 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 277.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97478703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).