4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione

C10H15NO3 — CID 176864776

IUPAC4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione
SMILESCN1CC2(CCC(=O)CC2)COC1=O
InChIInChI=1S/C10H15NO3/c1-11-6-10(7-14-9(11)13)4-2-8(12)3-5-10/h2-7H2,1H3
InChIKeyDIDBEWOFLUGENM-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.20
Rot. Bonds

About 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione

4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione (PubChem CID 176864776) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione.

Molecular Properties

Compound Name4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione
PubChem CID176864776
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione
SMILESCN1CC2(CCC(=O)CC2)COC1=O
InChIInChI=1S/C10H15NO3/c1-11-6-10(7-14-9(11)13)4-2-8(12)3-5-10/h2-7H2,1H3
InChIKeyDIDBEWOFLUGENM-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione?
The IUPAC name of 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione (CID 176864776) is 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione.
What is the SMILES notation for 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione?
The canonical SMILES for 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione is CN1CC2(CCC(=O)CC2)COC1=O.
What is the InChIKey of 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione?
The InChIKey is DIDBEWOFLUGENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-11-6-10(7-14-9(11)13)4-2-8(12)3-5-10/h2-7H2,1H3.
What are the key properties of 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione?
4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione has a molecular weight of 197.23 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxa-4-azaspiro[5.5]undecane-3,9-dione is sourced from PubChem (CID 176864776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).