2-methyl-2,9-diazaspiro[4.5]decan-6-one

C9H16N2O — CID 82413175

IUPAC2-methyl-2,9-diazaspiro[4.5]decan-6-one
SMILESCN1CCC2(CNCCC2=O)C1
InChIInChI=1S/C9H16N2O/c1-11-5-3-9(7-11)6-10-4-2-8(9)12/h10H,2-7H2,1H3
InChIKeyYIUZEDBHQLLSDX-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.13
Rot. Bonds

About 2-methyl-2,9-diazaspiro[4.5]decan-6-one

2-methyl-2,9-diazaspiro[4.5]decan-6-one (PubChem CID 82413175) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-2,9-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-methyl-2,9-diazaspiro[4.5]decan-6-one
PubChem CID82413175
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-methyl-2,9-diazaspiro[4.5]decan-6-one
SMILESCN1CCC2(CNCCC2=O)C1
InChIInChI=1S/C9H16N2O/c1-11-5-3-9(7-11)6-10-4-2-8(9)12/h10H,2-7H2,1H3
InChIKeyYIUZEDBHQLLSDX-UHFFFAOYSA-N
XLogP-0.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2,8-diazaspiro[5.5]undecan-11-one
CID 82407628
(4R)-6-methyl-6-azaspiro[3.5]nonan-3-one
CID 129450959
7-methyl-7-azaspiro[4.5]decan-4-one;hydrochloride
CID 121207632
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
tert-butyl 5-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379509
7-methyl-7,10-diazaspiro[4.6]undecan-11-one
CID 115100243
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
tert-butyl 11-oxo-2,7-diazaspiro[4.6]undecane-7-carboxylate
CID 83488912
7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 154959785
6,9,13,16-tetrazaspiro[3.13]heptadecan-3-one
CID 101251967
(5S)-2,7-dimethyl-2,7-diazaspiro[4.5]decan-6-one;ethane;methane
CID 161052527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,9-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-methyl-2,9-diazaspiro[4.5]decan-6-one (CID 82413175) is 2-methyl-2,9-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-methyl-2,9-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-methyl-2,9-diazaspiro[4.5]decan-6-one is CN1CCC2(CNCCC2=O)C1.
What is the InChIKey of 2-methyl-2,9-diazaspiro[4.5]decan-6-one?
The InChIKey is YIUZEDBHQLLSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-5-3-9(7-11)6-10-4-2-8(9)12/h10H,2-7H2,1H3.
What are the key properties of 2-methyl-2,9-diazaspiro[4.5]decan-6-one?
2-methyl-2,9-diazaspiro[4.5]decan-6-one has a molecular weight of 168.24 g/mol, XLogP of -0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,9-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 82413175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).