3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one

C11H10Cl2N2O — CID 143775570

IUPAC3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one
SMILESC=C/C=C(\C=C/C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-5-8(6-4-2)15-7-9(12)14-10(13)11(15)16/h3-7H,1H2,2H3/b6-4-,8-5+
InChIKeyWYQSCVGZIAYKTM-QXMOYCCXSA-N
MW257.12 g/mol
LogP3.15
Rot. Bonds3

About 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one

3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one (PubChem CID 143775570) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one.

Molecular Properties

Compound Name3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one
PubChem CID143775570
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one
SMILESC=C/C=C(\C=C/C)n1cc(Cl)nc(Cl)c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-5-8(6-4-2)15-7-9(12)14-10(13)11(15)16/h3-7H,1H2,2H3/b6-4-,8-5+
InChIKeyWYQSCVGZIAYKTM-QXMOYCCXSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-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 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one?
The IUPAC name of 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one (CID 143775570) is 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one.
What is the SMILES notation for 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one?
The canonical SMILES for 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one is C=C/C=C(\C=C/C)n1cc(Cl)nc(Cl)c1=O.
What is the InChIKey of 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one?
The InChIKey is WYQSCVGZIAYKTM-QXMOYCCXSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-3-5-8(6-4-2)15-7-9(12)14-10(13)11(15)16/h3-7H,1H2,2H3/b6-4-,8-5+.
What are the key properties of 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one?
3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one has a molecular weight of 257.12 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazin-2-one is sourced from PubChem (CID 143775570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).