(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one

C10H14N2O — CID 59723653

IUPAC(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1/C(=C/C)C(=O)N(C)C(=C)N1C
InChIInChI=1S/C10H14N2O/c1-6-9-7(2)11(4)8(3)12(5)10(9)13/h6H,2-3H2,1,4-5H3/b9-6-
InChIKeyIIFNHFMAINRXMA-TWGQIWQCSA-N
MW178.23 g/mol
LogP1.32
Rot. Bonds

About (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one

(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one (PubChem CID 59723653) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
PubChem CID59723653
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one
SMILESC=C1/C(=C/C)C(=O)N(C)C(=C)N1C
InChIInChI=1S/C10H14N2O/c1-6-9-7(2)11(4)8(3)12(5)10(9)13/h6H,2-3H2,1,4-5H3/b9-6-
InChIKeyIIFNHFMAINRXMA-TWGQIWQCSA-N
XLogP1.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one 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 (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The IUPAC name of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one (CID 59723653) is (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one.
What is the SMILES notation for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The canonical SMILES for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one is C=C1/C(=C/C)C(=O)N(C)C(=C)N1C.
What is the InChIKey of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
The InChIKey is IIFNHFMAINRXMA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-9-7(2)11(4)8(3)12(5)10(9)13/h6H,2-3H2,1,4-5H3/b9-6-.
What are the key properties of (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one?
(5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one has a molecular weight of 178.23 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-ethylidene-1,3-dimethyl-2,6-dimethylidene-1,3-diazinan-4-one is sourced from PubChem (CID 59723653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).