6-chloro-2-ethylpyridazin-3-one;ethene

C8H11ClN2O — CID 157406705

IUPAC6-chloro-2-ethylpyridazin-3-one;ethene
SMILESC=C.CCn1nc(Cl)ccc1=O
InChIInChI=1S/C6H7ClN2O.C2H4/c1-2-9-6(10)4-3-5(7)8-9;1-2/h3-4H,2H2,1H3;1-2H2
InChIKeyBNULFZFZUAISRT-UHFFFAOYSA-N
MW186.64 g/mol
LogP1.72
Rot. Bonds1

About 6-chloro-2-ethylpyridazin-3-one;ethene

6-chloro-2-ethylpyridazin-3-one;ethene (PubChem CID 157406705) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 6-chloro-2-ethylpyridazin-3-one;ethene.

Molecular Properties

Compound Name6-chloro-2-ethylpyridazin-3-one;ethene
PubChem CID157406705
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name6-chloro-2-ethylpyridazin-3-one;ethene
SMILESC=C.CCn1nc(Cl)ccc1=O
InChIInChI=1S/C6H7ClN2O.C2H4/c1-2-9-6(10)4-3-5(7)8-9;1-2/h3-4H,2H2,1H3;1-2H2
InChIKeyBNULFZFZUAISRT-UHFFFAOYSA-N
XLogP1.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 51.72
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 6-chloro-2-ethylpyridazin-3-one;ethene?
The IUPAC name of 6-chloro-2-ethylpyridazin-3-one;ethene (CID 157406705) is 6-chloro-2-ethylpyridazin-3-one;ethene.
What is the SMILES notation for 6-chloro-2-ethylpyridazin-3-one;ethene?
The canonical SMILES for 6-chloro-2-ethylpyridazin-3-one;ethene is C=C.CCn1nc(Cl)ccc1=O.
What is the InChIKey of 6-chloro-2-ethylpyridazin-3-one;ethene?
The InChIKey is BNULFZFZUAISRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.C2H4/c1-2-9-6(10)4-3-5(7)8-9;1-2/h3-4H,2H2,1H3;1-2H2.
What are the key properties of 6-chloro-2-ethylpyridazin-3-one;ethene?
6-chloro-2-ethylpyridazin-3-one;ethene has a molecular weight of 186.64 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylpyridazin-3-one;ethene is sourced from PubChem (CID 157406705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).