(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one

C12H19NO — CID 122396151

IUPAC(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one
SMILESCCC1=NCCC[C@]12CCCCC2=O
InChIInChI=1S/C12H19NO/c1-2-10-12(8-5-9-13-10)7-4-3-6-11(12)14/h2-9H2,1H3/t12-/m1/s1
InChIKeyNOUGWPGTGGJCQF-GFCCVEGCSA-N
MW193.29 g/mol
LogP2.76
Rot. Bonds1

About (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one

(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one (PubChem CID 122396151) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one.

Molecular Properties

Compound Name(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one
PubChem CID122396151
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one
SMILESCCC1=NCCC[C@]12CCCCC2=O
InChIInChI=1S/C12H19NO/c1-2-10-12(8-5-9-13-10)7-4-3-6-11(12)14/h2-9H2,1H3/t12-/m1/s1
InChIKeyNOUGWPGTGGJCQF-GFCCVEGCSA-N
XLogP2.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3aR,7aS)-3-(2,2-dimethylpropanoyl)-1,3a,5,6,7,7a-hexahydroisoindol-4-one
CID 134901569
1-(4a-fluoro-4,5,6,7,8,8a-hexahydro-3H-isoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 10776396
2-Butanoyl-3-butylimino-5,5-dimethylcyclohexan-1-one
CID 7169199
5-Cycloheptylimino-3,3-dimethylcyclohexan-1-one
CID 7307155
N-(2-Acetylcyclohexylidene)cyclohexylamine
CID 539371
5-Ethylimino-3,3-dimethylcyclohexan-1-one
CID 7157416
2-(3,4-dihydro-2H-pyrrol-5-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 7305867
5-Cyclohexylimino-3,3-dimethylcyclohexan-1-one
CID 8025462
2-(4-Ethyl-2,3,4,5-tetrahydropyridin-6-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 53681879
2-(2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-yl)-5,5-dimethylcyclohexane-1,3-dione
CID 53683448

Frequently Asked Questions

What is the IUPAC name of (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one?
The IUPAC name of (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one (CID 122396151) is (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one.
What is the SMILES notation for (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one?
The canonical SMILES for (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one is CCC1=NCCC[C@]12CCCCC2=O.
What is the InChIKey of (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one?
The InChIKey is NOUGWPGTGGJCQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-10-12(8-5-9-13-10)7-4-3-6-11(12)14/h2-9H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one?
(6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one has a molecular weight of 193.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-ethyl-2-azaspiro[5.5]undec-1-en-11-one is sourced from PubChem (CID 122396151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).