2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one

C12H17NO3 — CID 91239414

IUPAC2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one
SMILESCc1oc(N2CCOCC2C)cc(=O)c1C
InChIInChI=1S/C12H17NO3/c1-8-7-15-5-4-13(8)12-6-11(14)9(2)10(3)16-12/h6,8H,4-5,7H2,1-3H3
InChIKeyJUEYBHRCHNBHFM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.48
Rot. Bonds1

About 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one

2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one (PubChem CID 91239414) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one
PubChem CID91239414
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one
SMILESCc1oc(N2CCOCC2C)cc(=O)c1C
InChIInChI=1S/C12H17NO3/c1-8-7-15-5-4-13(8)12-6-11(14)9(2)10(3)16-12/h6,8H,4-5,7H2,1-3H3
InChIKeyJUEYBHRCHNBHFM-UHFFFAOYSA-N
XLogP1.48
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one?
The IUPAC name of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one (CID 91239414) is 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one?
The canonical SMILES for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one is Cc1oc(N2CCOCC2C)cc(=O)c1C.
What is the InChIKey of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one?
The InChIKey is JUEYBHRCHNBHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-7-15-5-4-13(8)12-6-11(14)9(2)10(3)16-12/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one?
2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one has a molecular weight of 223.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(3-methylmorpholin-4-yl)pyran-4-one is sourced from PubChem (CID 91239414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).