(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine

C8H12ClN — CID 142010145

IUPAC(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\C=C(/C)Cl
InChIInChI=1S/C8H12ClN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-3H3/b7-4-,8-6+,10-5+
InChIKeyXVOOEDACERFGOS-OKAJWAHLSA-N
MW157.64 g/mol
LogP3.12
Rot. Bonds2

About (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine

(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine (PubChem CID 142010145) has the molecular formula C8H12ClN and a molecular weight of 157.64 g/mol. Its IUPAC name is (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine
PubChem CID142010145
Molecular FormulaC8H12ClN
Molecular Weight157.64 g/mol
Exact Mass157.07
IUPAC Name(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\C=C(/C)Cl
InChIInChI=1S/C8H12ClN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-3H3/b7-4-,8-6+,10-5+
InChIKeyXVOOEDACERFGOS-OKAJWAHLSA-N
XLogP3.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.64
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[(E)-1-chloroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 89035223
(Z)-2-methyl-N-propylbut-2-en-1-imine
CID 89321974
N-(1-chloroethenyl)-2-methylprop-2-en-1-imine
CID 90688003
N-(2-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123516827
N-(1-chloroethenyl)-2,3-dimethylbut-2-en-1-imine
CID 123612629
N-(1-chloroprop-1-enyl)-2-methylprop-2-en-1-imine
CID 123623345
2-methyl-N-prop-1-enylbut-2-en-1-imine
CID 123783220
1-Chloroethenyl-methyl-(2-methylbut-2-enylidene)azanium
CID 123968297
(2Z)-4-chloro-N-ethyl-2-methylpenta-2,4-dien-1-imine
CID 129041426
(Z)-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 130204548
(E)-3-chloro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010081
(Z,Z)-N-(1-chloroethenyl)-2-methylbut-2-en-1-imine
CID 142097749

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine (CID 142010145) is (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine is C/C=C(C)\C=N\C=C(/C)Cl.
What is the InChIKey of (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine?
The InChIKey is XVOOEDACERFGOS-OKAJWAHLSA-N. The full InChI is InChI=1S/C8H12ClN/c1-4-7(2)5-10-6-8(3)9/h4-6H,1-3H3/b7-4-,8-6+,10-5+.
What are the key properties of (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine?
(Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine has a molecular weight of 157.64 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-2-chloroprop-1-enyl]-2-methylbut-2-en-1-imine is sourced from PubChem (CID 142010145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).