(E)-3-chlorohex-3-ene-2,5-diimine

C6H9ClN2 — CID 176561081

IUPAC(E)-3-chlorohex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b6-3+,8-4+,9-5+
InChIKeyRZWCZUBQHHVOLC-YLSAQHKZSA-N
MW144.60 g/mol
LogP2.19
Rot. Bonds2

About (E)-3-chlorohex-3-ene-2,5-diimine

(E)-3-chlorohex-3-ene-2,5-diimine (PubChem CID 176561081) has the molecular formula C6H9ClN2 and a molecular weight of 144.60 g/mol. Its IUPAC name is (E)-3-chlorohex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(E)-3-chlorohex-3-ene-2,5-diimine
PubChem CID176561081
Molecular FormulaC6H9ClN2
Molecular Weight144.60 g/mol
Exact Mass144.05
IUPAC Name(E)-3-chlorohex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C(Cl)\C(C)=N\[H]
InChIInChI=1S/C6H9ClN2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b6-3+,8-4+,9-5+
InChIKeyRZWCZUBQHHVOLC-YLSAQHKZSA-N
XLogP2.19
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.60
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chloro-1,4-benzoquinone diimine
CID 53437151
(Z)-4-iminopent-2-enimidoyl chloride
CID 58485320
4-Iminopent-2-enimidoyl chloride
CID 76800601
(4Z)-2-chlorohepta-1,4-dien-3-imine
CID 90748717
(E)-4-chloropent-3-en-2-imine
CID 91151084
(E)-3-chloropent-3-en-2-imine
CID 91487209
(E)-5-chlorohex-4-en-3-imine
CID 123373328
(Z)-hex-3-ene-2,5-diimine
CID 123539152
Hex-3-ene-2,5-diimine
CID 123983707
[(Z)-5-chloro-5-iminopent-3-en-2-ylidene]azanium
CID 141989637
(E)-3-chloro-4-iminopent-2-en-2-amine;ethane
CID 143061523
(E)-2-chloro-4-iminopent-2-enenitrile
CID 143378313

Frequently Asked Questions

What is the IUPAC name of (E)-3-chlorohex-3-ene-2,5-diimine?
The IUPAC name of (E)-3-chlorohex-3-ene-2,5-diimine (CID 176561081) is (E)-3-chlorohex-3-ene-2,5-diimine.
What is the SMILES notation for (E)-3-chlorohex-3-ene-2,5-diimine?
The canonical SMILES for (E)-3-chlorohex-3-ene-2,5-diimine is [H]/N=C(C)/C=C(Cl)\C(C)=N\[H].
What is the InChIKey of (E)-3-chlorohex-3-ene-2,5-diimine?
The InChIKey is RZWCZUBQHHVOLC-YLSAQHKZSA-N. The full InChI is InChI=1S/C6H9ClN2/c1-4(8)3-6(7)5(2)9/h3,8-9H,1-2H3/b6-3+,8-4+,9-5+.
What are the key properties of (E)-3-chlorohex-3-ene-2,5-diimine?
(E)-3-chlorohex-3-ene-2,5-diimine has a molecular weight of 144.60 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chlorohex-3-ene-2,5-diimine is sourced from PubChem (CID 176561081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).