(Z)-1,5-dichlorohex-3-en-2-imine

C6H9Cl2N — CID 123172756

IUPAC(Z)-1,5-dichlorohex-3-en-2-imine
SMILES[H]/N=C(/C=C\C(C)Cl)CCl
InChIInChI=1S/C6H9Cl2N/c1-5(8)2-3-6(9)4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-
InChIKeyMORQZTSMPDPNER-CITLEARMSA-N
MW166.05 g/mol
LogP2.43
Rot. Bonds3

About (Z)-1,5-dichlorohex-3-en-2-imine

(Z)-1,5-dichlorohex-3-en-2-imine (PubChem CID 123172756) has the molecular formula C6H9Cl2N and a molecular weight of 166.05 g/mol. Its IUPAC name is (Z)-1,5-dichlorohex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,5-dichlorohex-3-en-2-imine
PubChem CID123172756
Molecular FormulaC6H9Cl2N
Molecular Weight166.05 g/mol
Exact Mass165.01
IUPAC Name(Z)-1,5-dichlorohex-3-en-2-imine
SMILES[H]/N=C(/C=C\C(C)Cl)CCl
InChIInChI=1S/C6H9Cl2N/c1-5(8)2-3-6(9)4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-
InChIKeyMORQZTSMPDPNER-CITLEARMSA-N
XLogP2.43
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.05
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-chlorohepta-1,4-dien-3-imine
CID 90748717
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
(E)-4-chloropent-3-en-2-imine
CID 91151084
(E)-3-chloropent-3-en-2-imine
CID 91487209
3,5-Dichlorocyclohepta-2,6-dien-1-imine
CID 123388895
(3Z)-5-chlorohexa-3,5-dien-2-imine
CID 123525810
(Z)-1-chloro-3-methylhex-3-en-2-imine
CID 123601961
(E)-2,4-dichlorohex-4-en-3-imine
CID 123912179
(Z)-1-chloro-N-methylhex-3-en-2-imine
CID 143491776
(Z,5S)-5-bromo-1-chlorohex-3-en-2-imine
CID 163639835
5-Chloro-3-methylpent-3-en-2-imine
CID 174617581
4-Chlorocyclohexa-2,5-dien-1-imine
CID 85838802

Frequently Asked Questions

What is the IUPAC name of (Z)-1,5-dichlorohex-3-en-2-imine?
The IUPAC name of (Z)-1,5-dichlorohex-3-en-2-imine (CID 123172756) is (Z)-1,5-dichlorohex-3-en-2-imine.
What is the SMILES notation for (Z)-1,5-dichlorohex-3-en-2-imine?
The canonical SMILES for (Z)-1,5-dichlorohex-3-en-2-imine is [H]/N=C(/C=C\C(C)Cl)CCl.
What is the InChIKey of (Z)-1,5-dichlorohex-3-en-2-imine?
The InChIKey is MORQZTSMPDPNER-CITLEARMSA-N. The full InChI is InChI=1S/C6H9Cl2N/c1-5(8)2-3-6(9)4-7/h2-3,5,9H,4H2,1H3/b3-2-,9-6-.
What are the key properties of (Z)-1,5-dichlorohex-3-en-2-imine?
(Z)-1,5-dichlorohex-3-en-2-imine has a molecular weight of 166.05 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,5-dichlorohex-3-en-2-imine is sourced from PubChem (CID 123172756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).