1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione

C10H13N3O2 — CID 172570074

IUPAC1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=N\C)N1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O2/c1-3-4-8(7-11-2)13-6-5-9(14)12-10(13)15/h3-4,7H,1,5-6H2,2H3,(H,12,14,15)/b8-4+,11-7+
InChIKeyHRYNZVDZWAJBDV-RIALUSDFSA-N
MW207.23 g/mol
LogP0.70
Rot. Bonds3

About 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione

1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione (PubChem CID 172570074) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
PubChem CID172570074
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione
SMILESC=C/C=C(\C=N\C)N1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O2/c1-3-4-8(7-11-2)13-6-5-9(14)12-10(13)15/h3-4,7H,1,5-6H2,2H3,(H,12,14,15)/b8-4+,11-7+
InChIKeyHRYNZVDZWAJBDV-RIALUSDFSA-N
XLogP0.70
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-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-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione (CID 172570074) is 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione is C=C/C=C(\C=N\C)N1CCC(=O)NC1=O.
What is the InChIKey of 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione?
The InChIKey is HRYNZVDZWAJBDV-RIALUSDFSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-3-4-8(7-11-2)13-6-5-9(14)12-10(13)15/h3-4,7H,1,5-6H2,2H3,(H,12,14,15)/b8-4+,11-7+.
What are the key properties of 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione?
1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione has a molecular weight of 207.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-1-methyliminopenta-2,4-dien-2-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 172570074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).