2-bromo-N-ethenylprop-2-en-1-imine;ethane

C7H12BrN — CID 142020405

IUPAC2-bromo-N-ethenylprop-2-en-1-imine;ethane
SMILESC=C/N=C/C(=C)Br.CC
InChIInChI=1S/C5H6BrN.C2H6/c1-3-7-4-5(2)6;1-2/h3-4H,1-2H2;1-2H3/b7-4+;
InChIKeyUZENKNBZHHMHNS-KQGICBIGSA-N
MW190.08 g/mol
LogP3.14
Rot. Bonds2

About 2-bromo-N-ethenylprop-2-en-1-imine;ethane

2-bromo-N-ethenylprop-2-en-1-imine;ethane (PubChem CID 142020405) has the molecular formula C7H12BrN and a molecular weight of 190.08 g/mol. Its IUPAC name is 2-bromo-N-ethenylprop-2-en-1-imine;ethane.

Molecular Properties

Compound Name2-bromo-N-ethenylprop-2-en-1-imine;ethane
PubChem CID142020405
Molecular FormulaC7H12BrN
Molecular Weight190.08 g/mol
Exact Mass189.02
IUPAC Name2-bromo-N-ethenylprop-2-en-1-imine;ethane
SMILESC=C/N=C/C(=C)Br.CC
InChIInChI=1S/C5H6BrN.C2H6/c1-3-7-4-5(2)6;1-2/h3-4H,1-2H2;1-2H3/b7-4+;
InChIKeyUZENKNBZHHMHNS-KQGICBIGSA-N
XLogP3.14
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.08
LogP ≤ 53.14
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

[(2Z)-3-(dimethylamino)-2-bromoprop-2-enylidene]dimethylamine
CID 10498096
[2-Bromo-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
CID 57362079
(E)-2-bromo-N-[(E)-2-bromoethenyl]but-2-en-1-imine
CID 89259551
(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 89359111
(E)-2-bromo-N-ethenylbut-2-en-1-imine
CID 89472961
N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide
CID 90055039
2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine
CID 91442683
N-[(1E)-2-bromobuta-1,3-dienyl]ethanimine
CID 117793528
2-bromo-N-ethenylprop-2-en-1-imine
CID 118973033
N-(2-bromoprop-1-enyl)propan-1-imine
CID 123581220
2-bromo-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 129162249
(E)-2-bromo-N-[(Z)-prop-1-enyl]but-2-en-1-imine;ethane
CID 141934837

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethenylprop-2-en-1-imine;ethane?
The IUPAC name of 2-bromo-N-ethenylprop-2-en-1-imine;ethane (CID 142020405) is 2-bromo-N-ethenylprop-2-en-1-imine;ethane.
What is the SMILES notation for 2-bromo-N-ethenylprop-2-en-1-imine;ethane?
The canonical SMILES for 2-bromo-N-ethenylprop-2-en-1-imine;ethane is C=C/N=C/C(=C)Br.CC.
What is the InChIKey of 2-bromo-N-ethenylprop-2-en-1-imine;ethane?
The InChIKey is UZENKNBZHHMHNS-KQGICBIGSA-N. The full InChI is InChI=1S/C5H6BrN.C2H6/c1-3-7-4-5(2)6;1-2/h3-4H,1-2H2;1-2H3/b7-4+;.
What are the key properties of 2-bromo-N-ethenylprop-2-en-1-imine;ethane?
2-bromo-N-ethenylprop-2-en-1-imine;ethane has a molecular weight of 190.08 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethenylprop-2-en-1-imine;ethane is sourced from PubChem (CID 142020405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).