(5Z)-1-chloroocta-5,7-dien-4-imine

C8H12ClN — CID 123973209

IUPAC(5Z)-1-chloroocta-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C)CCCCl
InChIInChI=1S/C8H12ClN/c1-2-3-5-8(10)6-4-7-9/h2-3,5,10H,1,4,6-7H2/b5-3-,10-8-
InChIKeyDRZQJCGIYPDZGR-PGNVZPTMSA-N
MW157.64 g/mol
LogP2.77
Rot. Bonds5

About (5Z)-1-chloroocta-5,7-dien-4-imine

(5Z)-1-chloroocta-5,7-dien-4-imine (PubChem CID 123973209) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (5Z)-1-chloroocta-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-1-chloroocta-5,7-dien-4-imine
PubChem CID123973209
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(5Z)-1-chloroocta-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C=C)CCCCl
InChIInChI=1S/C8H12ClN/c1-2-3-5-8(10)6-4-7-9/h2-3,5,10H,1,4,6-7H2/b5-3-,10-8-
InChIKeyDRZQJCGIYPDZGR-PGNVZPTMSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 52.77
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Chlorocyclohexa-2,4-dien-1-imine
CID 22671008
2-Chlorocyclohex-3-en-1-imine
CID 57185909
2-(Chloromethyl)cyclohexa-2,4-dien-1-imine
CID 68905969
2,6-Dichlorocyclohexa-2,4-dien-1-imine;iron(2+);dichloride
CID 69878354
6-Chlorocyclohexa-2,4-dien-1-imine
CID 85838799
(Z)-2-chlorohex-4-en-3-imine
CID 91021416
6-Chloroocta-4,6-dien-3-imine
CID 91089774
4-Chlorocyclohex-2-en-1-imine
CID 123430240
6-Chlorocyclohex-2-en-1-imine
CID 123572944
2-Chloro-1-cyclohexa-2,4-dien-1-ylethanimine
CID 126587146
(E)-5-chloro-4-methyl-3-[(Z)-prop-1-enyl]hex-3-en-2-imine
CID 135190246
5-Chlorocyclohexa-2,4-dien-1-imine
CID 141270279

Frequently Asked Questions

What is the IUPAC name of (5Z)-1-chloroocta-5,7-dien-4-imine?
The IUPAC name of (5Z)-1-chloroocta-5,7-dien-4-imine (CID 123973209) is (5Z)-1-chloroocta-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-1-chloroocta-5,7-dien-4-imine?
The canonical SMILES for (5Z)-1-chloroocta-5,7-dien-4-imine is [H]/N=C(/C=C\C=C)CCCCl.
What is the InChIKey of (5Z)-1-chloroocta-5,7-dien-4-imine?
The InChIKey is DRZQJCGIYPDZGR-PGNVZPTMSA-N. The full InChI is InChI=1S/C8H12ClN/c1-2-3-5-8(10)6-4-7-9/h2-3,5,10H,1,4,6-7H2/b5-3-,10-8-.
What are the key properties of (5Z)-1-chloroocta-5,7-dien-4-imine?
(5Z)-1-chloroocta-5,7-dien-4-imine has a molecular weight of 157.64 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1-chloroocta-5,7-dien-4-imine is sourced from PubChem (CID 123973209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).