5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one

C10H11ClN2O — CID 67915403

IUPAC5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one
SMILESC=CCc1c(Cl)cnn(CC=C)c1=O
InChIInChI=1S/C10H11ClN2O/c1-3-5-8-9(11)7-12-13(6-4-2)10(8)14/h3-4,7H,1-2,5-6H2
InChIKeyNJYXCWOBVMDWDS-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one

5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one (PubChem CID 67915403) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one
PubChem CID67915403
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one
SMILESC=CCc1c(Cl)cnn(CC=C)c1=O
InChIInChI=1S/C10H11ClN2O/c1-3-5-8-9(11)7-12-13(6-4-2)10(8)14/h3-4,7H,1-2,5-6H2
InChIKeyNJYXCWOBVMDWDS-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one?
The IUPAC name of 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one (CID 67915403) is 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one?
The canonical SMILES for 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one is C=CCc1c(Cl)cnn(CC=C)c1=O.
What is the InChIKey of 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one?
The InChIKey is NJYXCWOBVMDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-3-5-8-9(11)7-12-13(6-4-2)10(8)14/h3-4,7H,1-2,5-6H2.
What are the key properties of 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one?
5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one has a molecular weight of 210.66 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-bis(prop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 67915403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).