4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

C17H28N2O2 — CID 107902269

IUPAC4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)=CCN1C(=O)C2(CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)8-11-19-14(13(3)4)15(20)18-17(16(19)21)9-6-5-7-10-17/h8,13-14H,5-7,9-11H2,1-4H3,(H,18,20)
InChIKeyVHRSLYNZVJGTSL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.64
Rot. Bonds3

About 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 107902269) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID107902269
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)=CCN1C(=O)C2(CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C17H28N2O2/c1-12(2)8-11-19-14(13(3)4)15(20)18-17(16(19)21)9-6-5-7-10-17/h8,13-14H,5-7,9-11H2,1-4H3,(H,18,20)
InChIKeyVHRSLYNZVJGTSL-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.64
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-(3-methylbut-2-enyl)-8-(2-methylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902251
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
9-(2-methylsulfanylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64971532
9-(2-methylsulfonylethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885124
4-but-3-yn-2-yl-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114420523
9-(3-methylpentan-3-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106329203
3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887630
4-(3-chloro-2-methylprop-2-enyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 106440744
8,8-dimethyl-9-(3-methylbut-2-enyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107902275
8-methyl-9-(2-methylsulfanylpropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 113466968
9-(oxan-4-yl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64960934
8-methyl-9-(3-methylbutyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887057

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 107902269) is 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)=CCN1C(=O)C2(CCCCC2)NC(=O)C1C(C)C.
What is the InChIKey of 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is VHRSLYNZVJGTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12(2)8-11-19-14(13(3)4)15(20)18-17(16(19)21)9-6-5-7-10-17/h8,13-14H,5-7,9-11H2,1-4H3,(H,18,20).
What are the key properties of 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbut-2-enyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 107902269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).