9-methyl-1,4-diazaspiro[5.5]undecan-5-one

C10H18N2O — CID 54773629

IUPAC9-methyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C10H18N2O/c1-8-2-4-10(5-3-8)9(13)11-6-7-12-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyUDIBOOPQUUMQJX-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.65
Rot. Bonds

About 9-methyl-1,4-diazaspiro[5.5]undecan-5-one

9-methyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 54773629) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 9-methyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-methyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID54773629
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name9-methyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1CCC2(CC1)NCCNC2=O
InChIInChI=1S/C10H18N2O/c1-8-2-4-10(5-3-8)9(13)11-6-7-12-10/h8,12H,2-7H2,1H3,(H,11,13)
InChIKeyUDIBOOPQUUMQJX-UHFFFAOYSA-N
XLogP0.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-methyl-1,4-diazaspiro[5.5]undecan-5-one (CID 54773629) is 9-methyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-methyl-1,4-diazaspiro[5.5]undecan-5-one is CC1CCC2(CC1)NCCNC2=O.
What is the InChIKey of 9-methyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is UDIBOOPQUUMQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8-2-4-10(5-3-8)9(13)11-6-7-12-10/h8,12H,2-7H2,1H3,(H,11,13).
What are the key properties of 9-methyl-1,4-diazaspiro[5.5]undecan-5-one?
9-methyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 182.27 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 54773629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).