3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one

C16H21NO4 — CID 973170

IUPAC3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H21NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h4-9H2,1-3H3
InChIKeyLZJNJQQLIBDOHB-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.22
Rot. Bonds1

About 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one

3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one (PubChem CID 973170) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one.

Molecular Properties

Compound Name3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one
PubChem CID973170
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one
SMILESCc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C16H21NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h4-9H2,1-3H3
InChIKeyLZJNJQQLIBDOHB-UHFFFAOYSA-N
XLogP2.22
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The IUPAC name of 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one (CID 973170) is 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one.
What is the SMILES notation for 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The canonical SMILES for 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one is Cc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
The InChIKey is LZJNJQQLIBDOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-13-11(18)8-16(2,3)9-12(13)21-14(10)15(19)17-4-6-20-7-5-17/h4-9H2,1-3H3.
What are the key properties of 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one?
3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one has a molecular weight of 291.35 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-trimethyl-2-(morpholine-4-carbonyl)-5,7-dihydro-1-benzofuran-4-one is sourced from PubChem (CID 973170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).