(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine

C10H14ClN — CID 166940445

IUPAC(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine
SMILESC/C=C1/CCC=N/C1=C/C(C)Cl
InChIInChI=1S/C10H14ClN/c1-3-9-5-4-6-12-10(9)7-8(2)11/h3,6-8H,4-5H2,1-2H3/b9-3-,10-7+
InChIKeyHBVHDMKIKYJMEX-CZRQHEBESA-N
MW183.68 g/mol
LogP3.31
Rot. Bonds1

About (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine

(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine (PubChem CID 166940445) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine.

Molecular Properties

Compound Name(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine
PubChem CID166940445
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine
SMILESC/C=C1/CCC=N/C1=C/C(C)Cl
InChIInChI=1S/C10H14ClN/c1-3-9-5-4-6-12-10(9)7-8(2)11/h3,6-8H,4-5H2,1-2H3/b9-3-,10-7+
InChIKeyHBVHDMKIKYJMEX-CZRQHEBESA-N
XLogP3.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine?
The IUPAC name of (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine (CID 166940445) is (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine.
What is the SMILES notation for (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine?
The canonical SMILES for (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine is C/C=C1/CCC=N/C1=C/C(C)Cl.
What is the InChIKey of (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine?
The InChIKey is HBVHDMKIKYJMEX-CZRQHEBESA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-9-5-4-6-12-10(9)7-8(2)11/h3,6-8H,4-5H2,1-2H3/b9-3-,10-7+.
What are the key properties of (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine?
(5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine has a molecular weight of 183.68 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-(2-chloropropylidene)-5-ethylidene-3,4-dihydropyridine is sourced from PubChem (CID 166940445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).