7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one

C14H24N2O — CID 45217622

IUPAC7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC/C=C(\C)CN1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O/c1-4-12(2)10-16-9-7-14(11-16)6-5-8-15(3)13(14)17/h4H,5-11H2,1-3H3/b12-4+
InChIKeyJGGXYSGOTQHFTC-UUILKARUSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds2

About 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one

7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45217622) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45217622
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC/C=C(\C)CN1CCC2(CCCN(C)C2=O)C1
InChIInChI=1S/C14H24N2O/c1-4-12(2)10-16-9-7-14(11-16)6-5-8-15(3)13(14)17/h4H,5-11H2,1-3H3/b12-4+
InChIKeyJGGXYSGOTQHFTC-UUILKARUSA-N
XLogP1.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E)-4-methyl-3-hexen-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 72922392
9-(1-Fluorocyclobutanecarbonyl)-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131686315
2-(3-Butenoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45206696
7-(2-Hydroxyethyl)-2-(3-methyl-2-butenoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938562
2,9-Dimethyl-2,9-diazaspiro[4.5]decan-1-one
CID 68058067
2,7-Dimethyl-2,7-diazaspiro[4.5]decan-6-one
CID 68058068
(5R)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one
CID 68058076
(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one
CID 68058077
(5R)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one
CID 68058079
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one
CID 68058080
(5R)-2,7,9,9-tetramethyl-2,7-diazaspiro[4.5]decan-6-one
CID 68359462
7-Ethyl-2-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154957860

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45217622) is 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one is C/C=C(\C)CN1CCC2(CCCN(C)C2=O)C1.
What is the InChIKey of 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JGGXYSGOTQHFTC-UUILKARUSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12(2)10-16-9-7-14(11-16)6-5-8-15(3)13(14)17/h4H,5-11H2,1-3H3/b12-4+.
What are the key properties of 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 236.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45217622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).