(Z)-5-chloro-N-methylhex-3-en-2-imine

C7H12ClN — CID 123943225

IUPAC(Z)-5-chloro-N-methylhex-3-en-2-imine
SMILESC/N=C(C)/C=C\C(C)Cl
InChIInChI=1S/C7H12ClN/c1-6(8)4-5-7(2)9-3/h4-6H,1-3H3/b5-4-,9-7+
InChIKeyREPKQLKFIVMSBM-XEQCUQEESA-N
MW145.63 g/mol
LogP2.26
Rot. Bonds2

About (Z)-5-chloro-N-methylhex-3-en-2-imine

(Z)-5-chloro-N-methylhex-3-en-2-imine (PubChem CID 123943225) has the molecular formula C7H12ClN and a molecular weight of 145.63 g/mol. Its IUPAC name is (Z)-5-chloro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-chloro-N-methylhex-3-en-2-imine
PubChem CID123943225
Molecular FormulaC7H12ClN
Molecular Weight145.63 g/mol
Exact Mass145.07
IUPAC Name(Z)-5-chloro-N-methylhex-3-en-2-imine
SMILESC/N=C(C)/C=C\C(C)Cl
InChIInChI=1S/C7H12ClN/c1-6(8)4-5-7(2)9-3/h4-6H,1-3H3/b5-4-,9-7+
InChIKeyREPKQLKFIVMSBM-XEQCUQEESA-N
XLogP2.26
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.63
LogP ≤ 52.26
H-Bond Donors ≤ 50
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

N-methylpent-3-en-2-imine
CID 15325554
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
(Z)-N-methylpent-3-en-2-imine
CID 59451924
(E)-N-methylpent-3-en-2-imine
CID 59927792
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
(Z)-N-methylhex-3-en-2-imine
CID 88993764
2-Chloro-6-(chloromethyl)-2,3-dihydropyridine
CID 89105826
3-Chloro-6-methyl-2,3-dihydropyridine
CID 89932265
(3R)-3-chloro-6-methyl-2,3-dihydropyridine
CID 89932269
(Z)-5-chloro-N-ethenylhex-3-en-2-imine
CID 90048222
6-(Chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
(E)-3-chloro-N-methylpent-3-en-2-imine
CID 91456997

Frequently Asked Questions

What is the IUPAC name of (Z)-5-chloro-N-methylhex-3-en-2-imine?
The IUPAC name of (Z)-5-chloro-N-methylhex-3-en-2-imine (CID 123943225) is (Z)-5-chloro-N-methylhex-3-en-2-imine.
What is the SMILES notation for (Z)-5-chloro-N-methylhex-3-en-2-imine?
The canonical SMILES for (Z)-5-chloro-N-methylhex-3-en-2-imine is C/N=C(C)/C=C\C(C)Cl.
What is the InChIKey of (Z)-5-chloro-N-methylhex-3-en-2-imine?
The InChIKey is REPKQLKFIVMSBM-XEQCUQEESA-N. The full InChI is InChI=1S/C7H12ClN/c1-6(8)4-5-7(2)9-3/h4-6H,1-3H3/b5-4-,9-7+.
What are the key properties of (Z)-5-chloro-N-methylhex-3-en-2-imine?
(Z)-5-chloro-N-methylhex-3-en-2-imine has a molecular weight of 145.63 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-chloro-N-methylhex-3-en-2-imine is sourced from PubChem (CID 123943225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).