4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C10H18N2O2 — CID 20522010

IUPAC4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCNCC2
InChIInChI=1S/C10H18N2O2/c1-8-10(3-5-11-6-4-10)14-7-9(13)12(8)2/h8,11H,3-7H2,1-2H3
InChIKeyJMHFAJOABGPKAB-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds

About 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 20522010) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID20522010
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1N(C)C(=O)COC12CCNCC2
InChIInChI=1S/C10H18N2O2/c1-8-10(3-5-11-6-4-10)14-7-9(13)12(8)2/h8,11H,3-7H2,1-2H3
InChIKeyJMHFAJOABGPKAB-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 20522010) is 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1N(C)C(=O)COC12CCNCC2.
What is the InChIKey of 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JMHFAJOABGPKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8-10(3-5-11-6-4-10)14-7-9(13)12(8)2/h8,11H,3-7H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 198.27 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20522010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).