(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one

C12H21NO — CID 25222940

IUPAC(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one
SMILESC[C@@H]1CCCC[C@@]12CCCCNC2=O
InChIInChI=1S/C12H21NO/c1-10-6-2-3-7-12(10)8-4-5-9-13-11(12)14/h10H,2-9H2,1H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyFUQNCXJKOBJGNU-ZYHUDNBSSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds

About (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one

(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one (PubChem CID 25222940) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one.

Molecular Properties

Compound Name(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one
PubChem CID25222940
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one
SMILESC[C@@H]1CCCC[C@@]12CCCCNC2=O
InChIInChI=1S/C12H21NO/c1-10-6-2-3-7-12(10)8-4-5-9-13-11(12)14/h10H,2-9H2,1H3,(H,13,14)/t10-,12-/m1/s1
InChIKeyFUQNCXJKOBJGNU-ZYHUDNBSSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
5-(tert-butyl)hexahydro-2H-azepin-2-one
CID 98432
Menthol lactam
CID 12349329
4,4,6,6-Tetramethylazepan-2-one
CID 12689792
N-butylcyclohexanecarboxamide
CID 3544722
5-Methyl-2-(propan-2-yl)-3,4,5,6-tetrahydro-2H-azepin-7-ol
CID 208300
7-Tert-butylazepan-2-one
CID 11819444
2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one
CID 376021
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
3,3-Diethylazepan-2-one
CID 10702280
Alpha-camphidone
CID 53834529
Tetrahydrocarvone isoxime
CID 218117

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one?
The IUPAC name of (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one (CID 25222940) is (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one.
What is the SMILES notation for (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one?
The canonical SMILES for (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one is C[C@@H]1CCCC[C@@]12CCCCNC2=O.
What is the InChIKey of (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one?
The InChIKey is FUQNCXJKOBJGNU-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-6-2-3-7-12(10)8-4-5-9-13-11(12)14/h10H,2-9H2,1H3,(H,13,14)/t10-,12-/m1/s1.
What are the key properties of (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one?
(5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-methyl-8-azaspiro[5.6]dodecan-7-one is sourced from PubChem (CID 25222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).