9-methyl-1,9-diazaspiro[4.5]decan-2-one

C9H16N2O — CID 169184695

IUPAC9-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(CCC(=O)N2)C1
InChIInChI=1S/C9H16N2O/c1-11-6-2-4-9(7-11)5-3-8(12)10-9/h2-7H2,1H3,(H,10,12)
InChIKeyPSXZOLGJBIHWJI-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.36
Rot. Bonds

About 9-methyl-1,9-diazaspiro[4.5]decan-2-one

9-methyl-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 169184695) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 9-methyl-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-methyl-1,9-diazaspiro[4.5]decan-2-one
PubChem CID169184695
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name9-methyl-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1CCCC2(CCC(=O)N2)C1
InChIInChI=1S/C9H16N2O/c1-11-6-2-4-9(7-11)5-3-8(12)10-9/h2-7H2,1H3,(H,10,12)
InChIKeyPSXZOLGJBIHWJI-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-methyl-1,9-diazaspiro[4.5]decan-2-one (CID 169184695) is 9-methyl-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-methyl-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-methyl-1,9-diazaspiro[4.5]decan-2-one is CN1CCCC2(CCC(=O)N2)C1.
What is the InChIKey of 9-methyl-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PSXZOLGJBIHWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-6-2-4-9(7-11)5-3-8(12)10-9/h2-7H2,1H3,(H,10,12).
What are the key properties of 9-methyl-1,9-diazaspiro[4.5]decan-2-one?
9-methyl-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 169184695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).