2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine

C6H7Cl2N — CID 88953125

IUPAC2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine
SMILESC=C(Cl)/C=N/C=C(\C)Cl
InChIInChI=1S/C6H7Cl2N/c1-5(7)3-9-4-6(2)8/h3-4H,1H2,2H3/b6-4+,9-3+
InChIKeyPJMQSOWRTWEFSX-UXAHVKOASA-N
MW164.03 g/mol
LogP2.91
Rot. Bonds2

About 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine

2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine (PubChem CID 88953125) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine
PubChem CID88953125
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine
SMILESC=C(Cl)/C=N/C=C(\C)Cl
InChIInChI=1S/C6H7Cl2N/c1-5(7)3-9-4-6(2)8/h3-4H,1H2,2H3/b6-4+,9-3+
InChIKeyPJMQSOWRTWEFSX-UXAHVKOASA-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine (CID 88953125) is 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine is C=C(Cl)/C=N/C=C(\C)Cl.
What is the InChIKey of 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine?
The InChIKey is PJMQSOWRTWEFSX-UXAHVKOASA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-5(7)3-9-4-6(2)8/h3-4H,1H2,2H3/b6-4+,9-3+.
What are the key properties of 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine?
2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine 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 2-chloro-N-[(E)-2-chloroprop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 88953125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).