5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C15H24N2O4 — CID 131650233

IUPAC5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C15H24N2O4/c1-11-15(21-10-13(18)16-11)4-6-17(7-5-15)14(19)12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyXCDKHLMLEMBGCY-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.31
Rot. Bonds1

About 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131650233) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131650233
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1NC(=O)COC12CCN(C(=O)C1CCOCC1)CC2
InChIInChI=1S/C15H24N2O4/c1-11-15(21-10-13(18)16-11)4-6-17(7-5-15)14(19)12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H,16,18)
InChIKeyXCDKHLMLEMBGCY-UHFFFAOYSA-N
XLogP0.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131650233) is 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1NC(=O)COC12CCN(C(=O)C1CCOCC1)CC2.
What is the InChIKey of 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XCDKHLMLEMBGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11-15(21-10-13(18)16-11)4-6-17(7-5-15)14(19)12-2-8-20-9-3-12/h11-12H,2-10H2,1H3,(H,16,18).
What are the key properties of 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 296.37 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-9-(oxane-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131650233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).