2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one

C14H23NO — CID 142434257

IUPAC2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one
SMILESCCCN1C(CC)CCC12C=CCCC2=O
InChIInChI=1S/C14H23NO/c1-3-11-15-12(4-2)8-10-14(15)9-6-5-7-13(14)16/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyGPBQHXRTDUMWPZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds3

About 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one

2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one (PubChem CID 142434257) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one.

Molecular Properties

Compound Name2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one
PubChem CID142434257
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one
SMILESCCCN1C(CC)CCC12C=CCCC2=O
InChIInChI=1S/C14H23NO/c1-3-11-15-12(4-2)8-10-14(15)9-6-5-7-13(14)16/h6,9,12H,3-5,7-8,10-11H2,1-2H3
InChIKeyGPBQHXRTDUMWPZ-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
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

1-[(1R,6S)-6-(2,6-dimethylhept-5-enyl)-2-pyrrolidin-1-ylcyclohex-3-en-1-yl]ethanone
CID 134979913
1-(2-Methyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)ethanone
CID 13614144
1-(1-Methyl-2,3,3a,4,5,7a-hexahydroindol-2-yl)ethanone
CID 18740776
1-(1-methyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)ethanone
CID 18740795
1-(2,3,3a,4,5,7a-hexahydro-1H-indol-2-yl)ethanone
CID 20678651
3,6,6,7,7,8-Hexamethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 22949081
3,6,7,8-Tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 22949082
1-(1-tert-butyl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylpropan-1-one
CID 57624449
1-(1-tert-butyl-3,3a,4,6a-tetrahydro-2H-cyclopenta[b]pyrrol-2-yl)-2,2-dimethylpropan-1-one
CID 57624492
1-(2-Tert-butyl-2-azabicyclo[2.2.1]hept-5-en-3-yl)-2,2-dimethylpropan-1-one
CID 58341311
1-[(3S)-2-methyl-2-azaspiro[4.4]non-7-en-3-yl]ethanone
CID 58605246
(7R)-3,6,7,8-tetramethyl-8-azabicyclo[3.2.1]oct-3-en-2-one
CID 59875568

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one?
The IUPAC name of 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one (CID 142434257) is 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one.
What is the SMILES notation for 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one?
The canonical SMILES for 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one is CCCN1C(CC)CCC12C=CCCC2=O.
What is the InChIKey of 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one?
The InChIKey is GPBQHXRTDUMWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-15-12(4-2)8-10-14(15)9-6-5-7-13(14)16/h6,9,12H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one?
2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-propyl-1-azaspiro[4.5]dec-9-en-6-one is sourced from PubChem (CID 142434257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).