3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

C9H14N2O3 — CID 14956866

IUPAC3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)OC(=O)N(C)C2=O
InChIInChI=1S/C9H14N2O3/c1-10-5-3-9(4-6-10)7(12)11(2)8(13)14-9/h3-6H2,1-2H3
InChIKeyRQEQFQKXTSPEBQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.06
Rot. Bonds

About 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (PubChem CID 14956866) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
PubChem CID14956866
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione
SMILESCN1CCC2(CC1)OC(=O)N(C)C2=O
InChIInChI=1S/C9H14N2O3/c1-10-5-3-9(4-6-10)7(12)11(2)8(13)14-9/h3-6H2,1-2H3
InChIKeyRQEQFQKXTSPEBQ-UHFFFAOYSA-N
XLogP0.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione (CID 14956866) is 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is CN1CCC2(CC1)OC(=O)N(C)C2=O.
What is the InChIKey of 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is RQEQFQKXTSPEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-10-5-3-9(4-6-10)7(12)11(2)8(13)14-9/h3-6H2,1-2H3.
What are the key properties of 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione?
3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 14956866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).