(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one

C18H32N2O — CID 42244222

IUPAC(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC/C=C(\C)CN1CC[C@]2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C18H32N2O/c1-6-15(2)12-19-11-9-18(14-19)8-7-10-20(16(18)21)13-17(3,4)5/h6H,7-14H2,1-5H3/b15-6+/t18-/m1/s1
InChIKeyHDAFYYCSXWCGCL-PRWGNSRSSA-N
MW292.47 g/mol
LogP3.31
Rot. Bonds3

About (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42244222) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42244222
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESC/C=C(\C)CN1CC[C@]2(CCCN(CC(C)(C)C)C2=O)C1
InChIInChI=1S/C18H32N2O/c1-6-15(2)12-19-11-9-18(14-19)8-7-10-20(16(18)21)13-17(3,4)5/h6H,7-14H2,1-5H3/b15-6+/t18-/m1/s1
InChIKeyHDAFYYCSXWCGCL-PRWGNSRSSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

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-methyl-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 45217622
(5R)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane
CID 159006530
(5S)-2,9-dimethyl-2,9-diazaspiro[4.5]decan-1-one;ethane;methane
CID 159006531
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527
(3R)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315343
(3S)-N-ethyl-N-(2-methylprop-2-enyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 26315344
(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
(5S)-7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510274
(5R)-7-methyl-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510276
N-ethyl-N-(2-methyl-2-propen-1-yl)-6-oxo-1-[3-(2-oxo-1-pyrrolidinyl)propyl]-3-piperidinecarboxamide
CID 45227195

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one (CID 42244222) is (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one is C/C=C(\C)CN1CC[C@]2(CCCN(CC(C)(C)C)C2=O)C1.
What is the InChIKey of (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HDAFYYCSXWCGCL-PRWGNSRSSA-N. The full InChI is InChI=1S/C18H32N2O/c1-6-15(2)12-19-11-9-18(14-19)8-7-10-20(16(18)21)13-17(3,4)5/h6H,7-14H2,1-5H3/b15-6+/t18-/m1/s1.
What are the key properties of (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 292.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42244222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).