(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one

C15H26N2O — CID 102849643

IUPAC(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H26N2O/c1-3-6-13(2)14(18)17-10-5-8-15(12-17)7-4-9-16-11-15/h6,16H,3-5,7-12H2,1-2H3/b13-6-
InChIKeyXXEWMQLDXMXCHY-MLPAPPSSSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds2

About (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one

(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one (PubChem CID 102849643) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
PubChem CID102849643
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one
SMILESCC/C=C(/C)C(=O)N1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H26N2O/c1-3-6-13(2)14(18)17-10-5-8-15(12-17)7-4-9-16-11-15/h6,16H,3-5,7-12H2,1-2H3/b13-6-
InChIKeyXXEWMQLDXMXCHY-MLPAPPSSSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,8-diazaspiro[5.5]undecan-2-yl)butane-1,3-dione
CID 110460606
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-ethoxyethanone
CID 102849595
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methylbutan-1-one
CID 82038247
2,8-diazaspiro[5.5]undecan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102849814
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
(Z)-1-(4-hydroxy-4-methylazepan-1-yl)-2-methylpent-2-en-1-one
CID 107406314
cyclobutyl(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849782
2-cyclohexyl-1-(2,8-diazaspiro[5.5]undecan-2-yl)ethanone
CID 102849929
(5S)-2,9-diazaspiro[4.5]decane-2-carboxylic acid
CID 99185249
2,8-diazaspiro[5.5]undecan-2-yl-(5-ethylfuran-2-yl)methanone
CID 102849550
2,8-diazaspiro[5.5]undecan-2-yl-(4-propylthiadiazol-5-yl)methanone
CID 102849805
1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-(oxan-2-yl)ethanone
CID 102849816

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one?
The IUPAC name of (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one (CID 102849643) is (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one.
What is the SMILES notation for (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one?
The canonical SMILES for (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one is CC/C=C(/C)C(=O)N1CCCC2(CCCNC2)C1.
What is the InChIKey of (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one?
The InChIKey is XXEWMQLDXMXCHY-MLPAPPSSSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-6-13(2)14(18)17-10-5-8-15(12-17)7-4-9-16-11-15/h6,16H,3-5,7-12H2,1-2H3/b13-6-.
What are the key properties of (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one?
(Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one has a molecular weight of 250.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,8-diazaspiro[5.5]undecan-2-yl)-2-methylpent-2-en-1-one is sourced from PubChem (CID 102849643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).