(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine

C10H14ClN — CID 143473223

IUPAC(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C/C=C/C(C)=N/C=C(/Cl)CC
InChIInChI=1S/C10H14ClN/c1-4-6-7-9(3)12-8-10(11)5-2/h4,6-8H,1,5H2,2-3H3/b7-6+,10-8+,12-9+
InChIKeyRVTFGZRZJKRLGZ-WRGRCINPSA-N
MW183.68 g/mol
LogP3.68
Rot. Bonds4

About (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine

(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine (PubChem CID 143473223) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine
PubChem CID143473223
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C/C=C/C(C)=N/C=C(/Cl)CC
InChIInChI=1S/C10H14ClN/c1-4-6-7-9(3)12-8-10(11)5-2/h4,6-8H,1,5H2,2-3H3/b7-6+,10-8+,12-9+
InChIKeyRVTFGZRZJKRLGZ-WRGRCINPSA-N
XLogP3.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 53.68
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 (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine (CID 143473223) is (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine is C=C/C=C/C(C)=N/C=C(/Cl)CC.
What is the InChIKey of (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine?
The InChIKey is RVTFGZRZJKRLGZ-WRGRCINPSA-N. The full InChI is InChI=1S/C10H14ClN/c1-4-6-7-9(3)12-8-10(11)5-2/h4,6-8H,1,5H2,2-3H3/b7-6+,10-8+,12-9+.
What are the key properties of (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine?
(3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine has a molecular weight of 183.68 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(E)-2-chlorobut-1-enyl]hexa-3,5-dien-2-imine is sourced from PubChem (CID 143473223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).