4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione

C11H13NO4 — CID 63788723

IUPAC4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione
SMILESCc1ccc(C(C)N2CC(=O)OC(=O)C2)o1
InChIInChI=1S/C11H13NO4/c1-7-3-4-9(15-7)8(2)12-5-10(13)16-11(14)6-12/h3-4,8H,5-6H2,1-2H3
InChIKeyHFGCAFKBGNIOES-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.03
Rot. Bonds2

About 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione

4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione (PubChem CID 63788723) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione
PubChem CID63788723
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione
SMILESCc1ccc(C(C)N2CC(=O)OC(=O)C2)o1
InChIInChI=1S/C11H13NO4/c1-7-3-4-9(15-7)8(2)12-5-10(13)16-11(14)6-12/h3-4,8H,5-6H2,1-2H3
InChIKeyHFGCAFKBGNIOES-UHFFFAOYSA-N
XLogP1.03
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
4-[1-(5-methylthiophen-2-yl)ethyl]morpholine-2,6-dione
CID 63788366
1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-2,4-dione
CID 79516755
6-[1-(5-methylfuran-2-yl)ethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 121160662
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
1-[1-(5-methylfuran-2-yl)ethyl]-1,3-diazinane-2,4-dione
CID 79778117
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrole-2,5-dione
CID 60977281
2-[1-(5-methylfuran-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 54903843
3-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064379
2,4-dimethyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62303074
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
(1R)-1-[3-[1-(5-methylfuran-2-yl)ethyl]imidazol-4-yl]ethanamine
CID 104942505

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione?
The IUPAC name of 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione (CID 63788723) is 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione?
The canonical SMILES for 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione is Cc1ccc(C(C)N2CC(=O)OC(=O)C2)o1.
What is the InChIKey of 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione?
The InChIKey is HFGCAFKBGNIOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-7-3-4-9(15-7)8(2)12-5-10(13)16-11(14)6-12/h3-4,8H,5-6H2,1-2H3.
What are the key properties of 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione?
4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione has a molecular weight of 223.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylfuran-2-yl)ethyl]morpholine-2,6-dione is sourced from PubChem (CID 63788723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).