(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane

C8H14BrN — CID 142048970

IUPAC(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane
SMILESC=C/N=C/C(Br)=C\C.CC
InChIInChI=1S/C6H8BrN.C2H6/c1-3-6(7)5-8-4-2;1-2/h3-5H,2H2,1H3;1-2H3/b6-3+,8-5+;
InChIKeyDRIPSXHVIIVGTM-OGUOZNLASA-N
MW204.11 g/mol
LogP3.53
Rot. Bonds2

About (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane

(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane (PubChem CID 142048970) has the molecular formula C8H14BrN and a molecular weight of 204.11 g/mol. Its IUPAC name is (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane.

Molecular Properties

Compound Name(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane
PubChem CID142048970
Molecular FormulaC8H14BrN
Molecular Weight204.11 g/mol
Exact Mass203.03
IUPAC Name(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane
SMILESC=C/N=C/C(Br)=C\C.CC
InChIInChI=1S/C6H8BrN.C2H6/c1-3-6(7)5-8-4-2;1-2/h3-5H,2H2,1H3;1-2H3/b6-3+,8-5+;
InChIKeyDRIPSXHVIIVGTM-OGUOZNLASA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane?
The IUPAC name of (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane (CID 142048970) is (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane.
What is the SMILES notation for (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane?
The canonical SMILES for (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane is C=C/N=C/C(Br)=C\C.CC.
What is the InChIKey of (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane?
The InChIKey is DRIPSXHVIIVGTM-OGUOZNLASA-N. The full InChI is InChI=1S/C6H8BrN.C2H6/c1-3-6(7)5-8-4-2;1-2/h3-5H,2H2,1H3;1-2H3/b6-3+,8-5+;.
What are the key properties of (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane?
(E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane has a molecular weight of 204.11 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-bromo-N-ethenylbut-2-en-1-imine;ethane is sourced from PubChem (CID 142048970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).