2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine

C6H8BrN — CID 91442683

IUPAC2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(Br)/C=N/C(=C)C
InChIInChI=1S/C6H8BrN/c1-5(2)8-4-6(3)7/h4H,1,3H2,2H3/b8-4+
InChIKeyBIZUIYIAMYCMSM-XBXARRHUSA-N
MW174.04 g/mol
LogP2.50
Rot. Bonds2

About 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine

2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 91442683) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID91442683
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC Name2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(Br)/C=N/C(=C)C
InChIInChI=1S/C6H8BrN/c1-5(2)8-4-6(3)7/h4H,1,3H2,2H3/b8-4+
InChIKeyBIZUIYIAMYCMSM-XBXARRHUSA-N
XLogP2.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.04
LogP ≤ 52.50
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

(E)-2-bromo-3-prop-1-en-2-yliminoprop-1-en-1-amine
CID 89209949
2-bromo-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
CID 129162249
2-bromo-N-ethenylprop-2-en-1-imine;ethane
CID 142020405
(Z)-2-bromo-N-(1-bromoethenyl)prop-2-en-1-imine
CID 142160175
1-N-methyl-2-N-methylideneprop-2-ene-1,2-diimine
CID 142896594
(E)-2-bromo-N-prop-1-en-2-ylbut-2-en-1-imine
CID 144145839
(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144521368
(Z)-2-bromo-N-(1-chloroethenyl)prop-2-en-1-imine;ethane
CID 144534821
2-bromo-3-methyl-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145439042
(Z)-2-bromo-N-[(E)-1-bromoprop-1-enyl]prop-2-en-1-imine;propane
CID 164594637
2-bromo-N-(3-methylbut-1-en-2-yl)prop-2-en-1-imine
CID 168950582
(Z)-2-bromo-1-N-methyl-3-N-methylidenebut-2-ene-1,3-diimine
CID 142870497

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine (CID 91442683) is 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(Br)/C=N/C(=C)C.
What is the InChIKey of 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is BIZUIYIAMYCMSM-XBXARRHUSA-N. The full InChI is InChI=1S/C6H8BrN/c1-5(2)8-4-6(3)7/h4H,1,3H2,2H3/b8-4+.
What are the key properties of 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine?
2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 174.04 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 91442683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).