9-methyl-2,9-diazaspiro[5.5]undecan-1-one

C10H18N2O — CID 51342118

IUPAC9-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCN1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C10H18N2O/c1-12-7-4-10(5-8-12)3-2-6-11-9(10)13/h2-8H2,1H3,(H,11,13)
InChIKeyTUTQURBVZPSVFU-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds

About 9-methyl-2,9-diazaspiro[5.5]undecan-1-one

9-methyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 51342118) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 9-methyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name9-methyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID51342118
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name9-methyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCN1CCC2(CCCNC2=O)CC1
InChIInChI=1S/C10H18N2O/c1-12-7-4-10(5-8-12)3-2-6-11-9(10)13/h2-8H2,1H3,(H,11,13)
InChIKeyTUTQURBVZPSVFU-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 9-methyl-2,9-diazaspiro[5.5]undecan-1-one (CID 51342118) is 9-methyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 9-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 9-methyl-2,9-diazaspiro[5.5]undecan-1-one is CN1CCC2(CCCNC2=O)CC1.
What is the InChIKey of 9-methyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is TUTQURBVZPSVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12-7-4-10(5-8-12)3-2-6-11-9(10)13/h2-8H2,1H3,(H,11,13).
What are the key properties of 9-methyl-2,9-diazaspiro[5.5]undecan-1-one?
9-methyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 51342118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).