4-methyl-2-prop-2-enoylmorpholine-3,5-dione

C8H9NO4 — CID 169224432

IUPAC4-methyl-2-prop-2-enoylmorpholine-3,5-dione
SMILESC=CC(=O)C1OCC(=O)N(C)C1=O
InChIInChI=1S/C8H9NO4/c1-3-5(10)7-8(12)9(2)6(11)4-13-7/h3,7H,1,4H2,2H3
InChIKeyJDDPJEZTHDGRPH-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.87
Rot. Bonds2

About 4-methyl-2-prop-2-enoylmorpholine-3,5-dione

4-methyl-2-prop-2-enoylmorpholine-3,5-dione (PubChem CID 169224432) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 4-methyl-2-prop-2-enoylmorpholine-3,5-dione.

Molecular Properties

Compound Name4-methyl-2-prop-2-enoylmorpholine-3,5-dione
PubChem CID169224432
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name4-methyl-2-prop-2-enoylmorpholine-3,5-dione
SMILESC=CC(=O)C1OCC(=O)N(C)C1=O
InChIInChI=1S/C8H9NO4/c1-3-5(10)7-8(12)9(2)6(11)4-13-7/h3,7H,1,4H2,2H3
InChIKeyJDDPJEZTHDGRPH-UHFFFAOYSA-N
XLogP-0.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-Oxopent-4-enyl)morpholin-3-one
CID 59288982
1-(4-Methylmorpholin-2-yl)prop-2-en-1-one
CID 79077810
2-ethoxy-N,N-dimethyl-3-oxopent-4-enamide
CID 141038560
4-Methyl-2-prop-2-enylmorpholin-3-one
CID 141957621
4-Methyl-2-prop-2-enoylmorpholin-3-one
CID 169224433
1-(4-Acetylmorpholin-2-yl)prop-2-en-1-one
CID 175240131
1-(4-Ethylmorpholin-2-yl)prop-2-en-1-one
CID 79666331

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-prop-2-enoylmorpholine-3,5-dione?
The IUPAC name of 4-methyl-2-prop-2-enoylmorpholine-3,5-dione (CID 169224432) is 4-methyl-2-prop-2-enoylmorpholine-3,5-dione.
What is the SMILES notation for 4-methyl-2-prop-2-enoylmorpholine-3,5-dione?
The canonical SMILES for 4-methyl-2-prop-2-enoylmorpholine-3,5-dione is C=CC(=O)C1OCC(=O)N(C)C1=O.
What is the InChIKey of 4-methyl-2-prop-2-enoylmorpholine-3,5-dione?
The InChIKey is JDDPJEZTHDGRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-3-5(10)7-8(12)9(2)6(11)4-13-7/h3,7H,1,4H2,2H3.
What are the key properties of 4-methyl-2-prop-2-enoylmorpholine-3,5-dione?
4-methyl-2-prop-2-enoylmorpholine-3,5-dione has a molecular weight of 183.16 g/mol, XLogP of -0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-prop-2-enoylmorpholine-3,5-dione is sourced from PubChem (CID 169224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).