8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

C11H20N2O — CID 64755240

IUPAC8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1CCC(C)C2(C1)NCCNC2=O
InChIInChI=1S/C11H20N2O/c1-8-3-4-9(2)11(7-8)10(14)12-5-6-13-11/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyLSUYTHMIPRKIPD-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.90
Rot. Bonds

About 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 64755240) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID64755240
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1CCC(C)C2(C1)NCCNC2=O
InChIInChI=1S/C11H20N2O/c1-8-3-4-9(2)11(7-8)10(14)12-5-6-13-11/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyLSUYTHMIPRKIPD-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (CID 64755240) is 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is CC1CCC(C)C2(C1)NCCNC2=O.
What is the InChIKey of 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is LSUYTHMIPRKIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-3-4-9(2)11(7-8)10(14)12-5-6-13-11/h8-9,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 196.29 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 64755240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).