2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one

C13H17NO5 — CID 70773826

IUPAC2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one
SMILESCC[C@H]1COCCN1C(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C13H17NO5/c1-3-9-7-18-5-4-14(9)13(16)11-6-10(15)12(17-2)8-19-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyUZEZOFHIJOLINY-VIFPVBQESA-N
MW267.28 g/mol
LogP0.90
Rot. Bonds3

About 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one

2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one (PubChem CID 70773826) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one.

Molecular Properties

Compound Name2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one
PubChem CID70773826
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one
SMILESCC[C@H]1COCCN1C(=O)c1cc(=O)c(OC)co1
InChIInChI=1S/C13H17NO5/c1-3-9-7-18-5-4-14(9)13(16)11-6-10(15)12(17-2)8-19-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyUZEZOFHIJOLINY-VIFPVBQESA-N
XLogP0.90
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-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

Related Compounds

3,4-dihydro-2H-pyran-6-yl-[(3S)-3-methylmorpholin-4-yl]methanone
CID 97094843
2-methyl-3-[2-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]pyran-4-one
CID 138024141
2-Methyl-3-[2-oxo-2-[3-(trifluoromethyl)morpholin-4-yl]ethoxy]pyran-4-one
CID 138026249
(2Z)-2-(2-methylpropylidene)-4,5-di(propan-2-yl)morpholin-3-one
CID 57579832
ethane;(2Z)-4-ethyl-2-ethylidene-5-methylmorpholin-3-one
CID 143617264
1-[4-(3,4-dihydro-2H-pyran-6-carbonyl)piperazin-1-yl]-2-methoxyethanone
CID 71871542
3,4-dihydro-2H-pyran-6-yl-(2,3-dimethylmorpholin-4-yl)methanone
CID 71915918
3,4-dihydro-2H-pyran-6-yl-(3,5-dimethylmorpholin-4-yl)methanone
CID 71925422
3,4-dihydro-2H-pyran-6-yl-(2-methylmorpholin-4-yl)methanone
CID 71925558
3,4-dihydro-2H-pyran-6-yl-(3-methylmorpholin-4-yl)methanone
CID 71926676
3,4-dihydro-2H-pyran-6-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 71926677
3,4-dihydro-2H-pyran-6-yl-(2,6-dimethylmorpholin-4-yl)methanone
CID 71926687

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one?
The IUPAC name of 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one (CID 70773826) is 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one.
What is the SMILES notation for 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one?
The canonical SMILES for 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one is CC[C@H]1COCCN1C(=O)c1cc(=O)c(OC)co1.
What is the InChIKey of 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one?
The InChIKey is UZEZOFHIJOLINY-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO5/c1-3-9-7-18-5-4-14(9)13(16)11-6-10(15)12(17-2)8-19-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one?
2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one has a molecular weight of 267.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethylmorpholine-4-carbonyl]-5-methoxypyran-4-one is sourced from PubChem (CID 70773826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).