1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine

C10H13ClN2 — CID 89088583

IUPAC1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
SMILESC=C1C=CC(CC)=NN1/C=C(\C)Cl
InChIInChI=1S/C10H13ClN2/c1-4-10-6-5-9(3)13(12-10)7-8(2)11/h5-7H,3-4H2,1-2H3/b8-7+
InChIKeyVFQLRJDLAQKSBW-BQYQJAHWSA-N
MW196.68 g/mol
LogP3.24
Rot. Bonds2

About 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine

1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine (PubChem CID 89088583) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine.

Molecular Properties

Compound Name1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
PubChem CID89088583
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine
SMILESC=C1C=CC(CC)=NN1/C=C(\C)Cl
InChIInChI=1S/C10H13ClN2/c1-4-10-6-5-9(3)13(12-10)7-8(2)11/h5-7H,3-4H2,1-2H3/b8-7+
InChIKeyVFQLRJDLAQKSBW-BQYQJAHWSA-N
XLogP3.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine?
The IUPAC name of 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine (CID 89088583) is 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine.
What is the SMILES notation for 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine?
The canonical SMILES for 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine is C=C1C=CC(CC)=NN1/C=C(\C)Cl.
What is the InChIKey of 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine?
The InChIKey is VFQLRJDLAQKSBW-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H13ClN2/c1-4-10-6-5-9(3)13(12-10)7-8(2)11/h5-7H,3-4H2,1-2H3/b8-7+.
What are the key properties of 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine?
1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine has a molecular weight of 196.68 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-chloroprop-1-enyl]-3-ethyl-6-methylidenepyridazine is sourced from PubChem (CID 89088583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).