8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one

C17H26N2O — CID 144998270

IUPAC8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H26N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,20)
InChIKeyMLEYTEYVSJLKCT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds2

About 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one

8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (PubChem CID 144998270) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
PubChem CID144998270
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
SMILESCN(C)C1(C2=CCCC=C2)CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C17H26N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,20)
InChIKeyMLEYTEYVSJLKCT-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-Ethyl-3-methylcyclohepta-1,4,6-trien-1-yl)-4-methylcyclohexyl]pyrrolidin-2-one
CID 90934267
(3S)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234281
8-Amino-8-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234282
(3R)-8-amino-3-methyl-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234389
8-Amino-2-(3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234391
(3R)-8-amino-3-methyl-2-(2-methyl-3-methylidenecyclohexen-1-yl)-2-azaspiro[4.5]decan-1-one
CID 118234401
8-Cyclopent-1-enyl-8-dimethylamino-2-azaspiro[4.5]decan-1-one
CID 118662121
5-[(1,4-Dimethylcyclohexa-2,4-dien-1-yl)methyl]pyrrolidin-2-one
CID 131995827
(3R,5R)-5-(5-cyclohexa-1,3-dien-1-yl-2-methylheptyl)-3-methylpyrrolidin-2-one
CID 137397197
2-(3-Aminopropyl)-8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one
CID 144998227
tert-butyl N-[3-[8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-3-oxo-2-azaspiro[4.5]decan-2-yl]propyl]carbamate;molecular hydrogen
CID 144998245
2-azaspiro[4.5]decan-3-one;N-[(2E)-2-ethenylpenta-2,4-dienyl]butanamide
CID 153333482

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one (CID 144998270) is 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one is CN(C)C1(C2=CCCC=C2)CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
The InChIKey is MLEYTEYVSJLKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(2)17(14-6-4-3-5-7-14)10-8-16(9-11-17)12-15(20)18-13-16/h4,6-7H,3,5,8-13H2,1-2H3,(H,18,20).
What are the key properties of 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one?
8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one has a molecular weight of 274.41 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexa-1,5-dien-1-yl-8-(dimethylamino)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 144998270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).