4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C10H18N2O2 — CID 22975638

IUPAC4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)8-12(2)9(13)7-14-10/h3-8H2,1-2H3
InChIKeyDCVGWEAJGZHFFG-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.06
Rot. Bonds

About 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 22975638) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID22975638
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CCC2(CC1)CN(C)C(=O)CO2
InChIInChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)8-12(2)9(13)7-14-10/h3-8H2,1-2H3
InChIKeyDCVGWEAJGZHFFG-UHFFFAOYSA-N
XLogP-0.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 22975638) is 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CN1CCC2(CC1)CN(C)C(=O)CO2.
What is the InChIKey of 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DCVGWEAJGZHFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-11-5-3-10(4-6-11)8-12(2)9(13)7-14-10/h3-8H2,1-2H3.
What are the key properties of 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 198.27 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 22975638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).