4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione

C9H14N2O3 — CID 103072088

IUPAC4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione
SMILESC=C(CNC)CN1C(=O)COCC1=O
InChIInChI=1S/C9H14N2O3/c1-7(3-10-2)4-11-8(12)5-14-6-9(11)13/h10H,1,3-6H2,2H3
InChIKeyODGLMYSDRDYIHS-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.85
Rot. Bonds4

About 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione

4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione (PubChem CID 103072088) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione
PubChem CID103072088
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione
SMILESC=C(CNC)CN1C(=O)COCC1=O
InChIInChI=1S/C9H14N2O3/c1-7(3-10-2)4-11-8(12)5-14-6-9(11)13/h10H,1,3-6H2,2H3
InChIKeyODGLMYSDRDYIHS-UHFFFAOYSA-N
XLogP-0.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione (CID 103072088) is 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione is C=C(CNC)CN1C(=O)COCC1=O.
What is the InChIKey of 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione?
The InChIKey is ODGLMYSDRDYIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-7(3-10-2)4-11-8(12)5-14-6-9(11)13/h10H,1,3-6H2,2H3.
What are the key properties of 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione?
4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione has a molecular weight of 198.22 g/mol, XLogP of -0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylaminomethyl)prop-2-enyl]morpholine-3,5-dione is sourced from PubChem (CID 103072088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).