N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride

C6H7Cl2N — CID 130183540

IUPACN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride
SMILESC=C/C(Cl)=C(C)\N=C\Cl
InChIInChI=1S/C6H7Cl2N/c1-3-6(8)5(2)9-4-7/h3-4H,1H2,2H3/b6-5+,9-4+
InChIKeyQOWQJFUMECLUJE-BZNITXMSSA-N
MW164.03 g/mol
LogP2.91
Rot. Bonds2

About N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride

N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride (PubChem CID 130183540) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride
PubChem CID130183540
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC NameN-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride
SMILESC=C/C(Cl)=C(C)\N=C\Cl
InChIInChI=1S/C6H7Cl2N/c1-3-6(8)5(2)9-4-7/h3-4H,1H2,2H3/b6-5+,9-4+
InChIKeyQOWQJFUMECLUJE-BZNITXMSSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride?
The IUPAC name of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride (CID 130183540) is N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride.
What is the SMILES notation for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride?
The canonical SMILES for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride is C=C/C(Cl)=C(C)\N=C\Cl.
What is the InChIKey of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride?
The InChIKey is QOWQJFUMECLUJE-BZNITXMSSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-3-6(8)5(2)9-4-7/h3-4H,1H2,2H3/b6-5+,9-4+.
What are the key properties of N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride?
N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride has a molecular weight of 164.03 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3-chloropenta-2,4-dien-2-yl]methanimidoyl chloride is sourced from PubChem (CID 130183540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).