3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

C17H23NO4 — CID 48690083

IUPAC3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CC(C)OC(C)(C)C2)oc2c1C(=O)CCC2
InChIInChI=1S/C17H23NO4/c1-10-8-18(9-17(3,4)22-10)16(20)15-11(2)14-12(19)6-5-7-13(14)21-15/h10H,5-9H2,1-4H3
InChIKeyFTTMPPLBEBKGRT-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.75
Rot. Bonds1

About 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (PubChem CID 48690083) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.

Molecular Properties

Compound Name3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
PubChem CID48690083
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CC(C)OC(C)(C)C2)oc2c1C(=O)CCC2
InChIInChI=1S/C17H23NO4/c1-10-8-18(9-17(3,4)22-10)16(20)15-11(2)14-12(19)6-5-7-13(14)21-15/h10H,5-9H2,1-4H3
InChIKeyFTTMPPLBEBKGRT-UHFFFAOYSA-N
XLogP2.75
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The IUPAC name of 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one (CID 48690083) is 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one.
What is the SMILES notation for 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The canonical SMILES for 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is Cc1c(C(=O)N2CC(C)OC(C)(C)C2)oc2c1C(=O)CCC2.
What is the InChIKey of 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
The InChIKey is FTTMPPLBEBKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-10-8-18(9-17(3,4)22-10)16(20)15-11(2)14-12(19)6-5-7-13(14)21-15/h10H,5-9H2,1-4H3.
What are the key properties of 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one?
3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one has a molecular weight of 305.37 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,2,6-trimethylmorpholine-4-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one is sourced from PubChem (CID 48690083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).