(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane

C7H11BrClN — CID 144534821

IUPAC(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane
SMILESC=C(Br)/C=N\C(=C)Cl.CC
InChIInChI=1S/C5H5BrClN.C2H6/c1-4(6)3-8-5(2)7;1-2/h3H,1-2H2;1-2H3/b8-3-;
InChIKeyDEUKZNSCJXLNKM-NGRDVXTNSA-N
MW224.53 g/mol
LogP3.70
Rot. Bonds2

About (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane

(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane (PubChem CID 144534821) has the molecular formula C7H11BrClN and a molecular weight of 224.53 g/mol. Its IUPAC name is (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane.

Molecular Properties

Compound Name(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane
PubChem CID144534821
Molecular FormulaC7H11BrClN
Molecular Weight224.53 g/mol
Exact Mass222.98
IUPAC Name(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane
SMILESC=C(Br)/C=N\C(=C)Cl.CC
InChIInChI=1S/C5H5BrClN.C2H6/c1-4(6)3-8-5(2)7;1-2/h3H,1-2H2;1-2H3/b8-3-;
InChIKeyDEUKZNSCJXLNKM-NGRDVXTNSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.53
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane?
The IUPAC name of (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane (CID 144534821) is (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane.
What is the SMILES notation for (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane?
The canonical SMILES for (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane is C=C(Br)/C=N\C(=C)Cl.CC.
What is the InChIKey of (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane?
The InChIKey is DEUKZNSCJXLNKM-NGRDVXTNSA-N. The full InChI is InChI=1S/C5H5BrClN.C2H6/c1-4(6)3-8-5(2)7;1-2/h3H,1-2H2;1-2H3/b8-3-;.
What are the key properties of (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane?
(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane has a molecular weight of 224.53 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane is sourced from PubChem (CID 144534821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).