5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one

C15H19NO5 — CID 110699298

IUPAC5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO5/c1-10-9-12(17)21-11(2)13(10)14(18)16-5-3-15(4-6-16)19-7-8-20-15/h9H,3-8H2,1-2H3
InChIKeyKDEFQGZFOSJPLF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.24
Rot. Bonds1

About 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one

5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one (PubChem CID 110699298) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one.

Molecular Properties

Compound Name5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
PubChem CID110699298
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one
SMILESCc1cc(=O)oc(C)c1C(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H19NO5/c1-10-9-12(17)21-11(2)13(10)14(18)16-5-3-15(4-6-16)19-7-8-20-15/h9H,3-8H2,1-2H3
InChIKeyKDEFQGZFOSJPLF-UHFFFAOYSA-N
XLogP1.24
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepane-1-carbonyl)-4,6-dimethylpyran-2-one
CID 918943
3-(2,4-dimethyl-6-oxopyran-3-carbonyl)-10-methyl-3,10-diazaspiro[5.6]dodecan-9-one
CID 56714078
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 110764959
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-4,6-dimethylpyran-2-one
CID 930606
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132
5-[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-4,6-dimethylpyran-2-one
CID 163316196
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718430
(3-chloro-6-methoxy-2,4-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 110763029
(4-amino-3-methylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 78983514
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392836

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one?
The IUPAC name of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one (CID 110699298) is 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one.
What is the SMILES notation for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one?
The canonical SMILES for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one is Cc1cc(=O)oc(C)c1C(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one?
The InChIKey is KDEFQGZFOSJPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-9-12(17)21-11(2)13(10)14(18)16-5-3-15(4-6-16)19-7-8-20-15/h9H,3-8H2,1-2H3.
What are the key properties of 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one?
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one has a molecular weight of 293.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4,6-dimethylpyran-2-one is sourced from PubChem (CID 110699298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).