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

C16H25N3O2 — CID 42823943

IUPAC8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCN1C(=O)C(C)NC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C16H25N3O2/c1-3-9-19-14(20)12(2)17-16(19)7-10-18(11-8-16)15(21)13-5-4-6-13/h3,12-13,17H,1,4-11H2,2H3
InChIKeyQELNWKSBGRANKJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.11
Rot. Bonds3

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

8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 42823943) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID42823943
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESC=CCN1C(=O)C(C)NC12CCN(C(=O)C1CCC1)CC2
InChIInChI=1S/C16H25N3O2/c1-3-9-19-14(20)12(2)17-16(19)7-10-18(11-8-16)15(21)13-5-4-6-13/h3,12-13,17H,1,4-11H2,2H3
InChIKeyQELNWKSBGRANKJ-UHFFFAOYSA-N
XLogP1.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.11
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

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-(2-Methylpropyl)-8-propanoyl-4-propan-2-yl-1,4,8-triazaspiro[4.5]decan-3-one
CID 91633691
8-(Cyclobutanecarbonyl)-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 97478703
2-[(4S)-2,5-dioxo-4-propan-2-ylimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 51925872
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-prop-2-enylacetamide
CID 16317247
N-methyl-1-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 37458903
2-butan-2-yl-3-oxo-N-propan-2-yl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
CID 45988290
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

Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 42823943) is 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is C=CCN1C(=O)C(C)NC12CCN(C(=O)C1CCC1)CC2.
What is the InChIKey of 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is QELNWKSBGRANKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-9-19-14(20)12(2)17-16(19)7-10-18(11-8-16)15(21)13-5-4-6-13/h3,12-13,17H,1,4-11H2,2H3.
What are the key properties of 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one?
8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 291.39 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutanecarbonyl)-2-methyl-4-prop-2-enyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 42823943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).