2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one

C17H27NO — CID 91234378

IUPAC2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one
SMILESCC=CC=CC(C)CN1CCC2(CCCCC2)C1=O
InChIInChI=1S/C17H27NO/c1-3-4-6-9-15(2)14-18-13-12-17(16(18)19)10-7-5-8-11-17/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3
InChIKeyAZTGJIGYVSQIIR-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds4

About 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one

2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 91234378) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one
PubChem CID91234378
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one
SMILESCC=CC=CC(C)CN1CCC2(CCCCC2)C1=O
InChIInChI=1S/C17H27NO/c1-3-4-6-9-15(2)14-18-13-12-17(16(18)19)10-7-5-8-11-17/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3
InChIKeyAZTGJIGYVSQIIR-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-azaspiro[4.4]nonan-1-one
CID 142262093
2-(2-methylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370175
3-(1-oxo-2-azaspiro[4.5]decan-2-yl)propyl propanoate
CID 70679702
(5R)-2-ethyl-2,9-diazaspiro[4.5]decan-1-one
CID 92775014
3,3-dimethyl-1-(2-methylpropyl)pyrrolidin-2-one
CID 21018613
8-(5-fluoropyrimidin-2-yl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449706
(5S)-7-(2,2-dimethylpropyl)-2-[(E)-2-methylbut-2-enyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42244220
11-ethyl-8,11-diazaspiro[5.6]dodecan-12-one
CID 115100283
2-ethyl-7-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 135259049
ethane;2-[2-[2-(5-fluoro-2-methylphenoxy)ethoxy]ethyl]-2-azaspiro[4.5]decan-1-one;6-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-6-azaspiro[3.4]octan-5-one
CID 176700889
2-butyl-2,8-diazaspiro[4.5]decan-1-one
CID 117003109
2-(3,3-dimethylbutyl)-2,8-diazaspiro[4.5]decan-1-one
CID 172785734

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one (CID 91234378) is 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one is CC=CC=CC(C)CN1CCC2(CCCCC2)C1=O.
What is the InChIKey of 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is AZTGJIGYVSQIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-3-4-6-9-15(2)14-18-13-12-17(16(18)19)10-7-5-8-11-17/h3-4,6,9,15H,5,7-8,10-14H2,1-2H3.
What are the key properties of 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one?
2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 261.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylhepta-3,5-dienyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 91234378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).