1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione

C11H14N2O2 — CID 143838790

IUPAC1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1
InChIInChI=1S/C11H14N2O2/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2/h4-5,7H,6H2,1-3H3/b5-4-,12-7+
InChIKeyVZMGPSVDZRMHQL-HCRNJAACSA-N
MW206.25 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione

1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione (PubChem CID 143838790) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
PubChem CID143838790
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione
SMILESC/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1
InChIInChI=1S/C11H14N2O2/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2/h4-5,7H,6H2,1-3H3/b5-4-,12-7+
InChIKeyVZMGPSVDZRMHQL-HCRNJAACSA-N
XLogP0.95
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione 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 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The IUPAC name of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione (CID 143838790) is 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione.
What is the SMILES notation for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The canonical SMILES for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione is C/C=C\C1=C(/C=N/C)C(=O)N(C)C(=O)C1.
What is the InChIKey of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
The InChIKey is VZMGPSVDZRMHQL-HCRNJAACSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-5-8-6-10(14)13(3)11(15)9(8)7-12-2/h4-5,7H,6H2,1-3H3/b5-4-,12-7+.
What are the key properties of 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione?
1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione has a molecular weight of 206.25 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methyliminomethyl)-4-[(Z)-prop-1-enyl]-3H-pyridine-2,6-dione is sourced from PubChem (CID 143838790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).