(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine

C5H5BrClN — CID 153356245

IUPAC(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
SMILESC=C(Cl)/C=N\C(=C)Br
InChIInChI=1S/C5H5BrClN/c1-4(7)3-8-5(2)6/h3H,1-2H2/b8-3-
InChIKeyGHFLZOARIIKFGY-BAQGIRSFSA-N
MW194.46 g/mol
LogP2.68
Rot. Bonds2

About (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine

(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine (PubChem CID 153356245) has the molecular formula C5H5BrClN and a molecular weight of 194.46 g/mol. Its IUPAC name is (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
PubChem CID153356245
Molecular FormulaC5H5BrClN
Molecular Weight194.46 g/mol
Exact Mass192.93
IUPAC Name(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine
SMILESC=C(Cl)/C=N\C(=C)Br
InChIInChI=1S/C5H5BrClN/c1-4(7)3-8-5(2)6/h3H,1-2H2/b8-3-
InChIKeyGHFLZOARIIKFGY-BAQGIRSFSA-N
XLogP2.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromoethene;1,1-dichloroethene
CID 19752117
1,1-dichloroethene;ethene
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(3E)-3-bromo-5-chlorohexa-1,3,5-trien-2-ol
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1,1-dichloroethene;ethene;trihydrochloride
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N'-(1-chloroethenyl)methanimidamide
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2,6-dichloro-5-methylidenehepta-1,3,6-triene
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CID 135244862
1-chloroethenyliminomethyl-methyl-methylideneazanium
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N-[(1E)-4-bromo-1-chloro-3-methylidenepenta-1,4-dienyl]methanimine
CID 178148977

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine?
The IUPAC name of (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine (CID 153356245) is (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine?
The canonical SMILES for (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine is C=C(Cl)/C=N\C(=C)Br.
What is the InChIKey of (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine?
The InChIKey is GHFLZOARIIKFGY-BAQGIRSFSA-N. The full InChI is InChI=1S/C5H5BrClN/c1-4(7)3-8-5(2)6/h3H,1-2H2/b8-3-.
What are the key properties of (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine?
(Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine has a molecular weight of 194.46 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1-bromoethenyl)-2-chloroprop-2-en-1-imine is sourced from PubChem (CID 153356245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).