N-prop-1-en-2-ylprop-2-enimidoyl bromide

C6H8BrN — CID 145301337

IUPACN-prop-1-en-2-ylprop-2-enimidoyl bromide
SMILESC=C/C(Br)=N/C(=C)C
InChIInChI=1S/C6H8BrN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyRWPSCIRSSVUYPL-VURMDHGXSA-N
MW174.04 g/mol
LogP2.50
Rot. Bonds2

About N-prop-1-en-2-ylprop-2-enimidoyl bromide

N-prop-1-en-2-ylprop-2-enimidoyl bromide (PubChem CID 145301337) has the molecular formula C6H8BrN and a molecular weight of 174.04 g/mol. Its IUPAC name is N-prop-1-en-2-ylprop-2-enimidoyl bromide.

Molecular Properties

Compound NameN-prop-1-en-2-ylprop-2-enimidoyl bromide
PubChem CID145301337
Molecular FormulaC6H8BrN
Molecular Weight174.04 g/mol
Exact Mass172.98
IUPAC NameN-prop-1-en-2-ylprop-2-enimidoyl bromide
SMILESC=C/C(Br)=N/C(=C)C
InChIInChI=1S/C6H8BrN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyRWPSCIRSSVUYPL-VURMDHGXSA-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

N-[(Z)-prop-1-enyl]prop-2-enimidoyl bromide
CID 90055039
N-[(3Z)-penta-1,3-dien-2-yl]ethanimidoyl bromide
CID 123516668
N-[(Z)-but-2-en-2-yl]ethanimidoyl bromide
CID 129231874
(Z)-N-(1-bromoethenyl)but-3-en-2-imine
CID 144525018
N-prop-1-en-2-ylprop-2-en-1-imine;yttrium
CID 155716860
N-[(E)-1-bromoprop-1-enyl]but-3-en-2-imine
CID 174098944
N-prop-1-en-2-ylethanimidoyl bromide
CID 143819356

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The IUPAC name of N-prop-1-en-2-ylprop-2-enimidoyl bromide (CID 145301337) is N-prop-1-en-2-ylprop-2-enimidoyl bromide.
What is the SMILES notation for N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The canonical SMILES for N-prop-1-en-2-ylprop-2-enimidoyl bromide is C=C/C(Br)=N/C(=C)C.
What is the InChIKey of N-prop-1-en-2-ylprop-2-enimidoyl bromide?
The InChIKey is RWPSCIRSSVUYPL-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8BrN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-.
What are the key properties of N-prop-1-en-2-ylprop-2-enimidoyl bromide?
N-prop-1-en-2-ylprop-2-enimidoyl bromide 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 N-prop-1-en-2-ylprop-2-enimidoyl bromide is sourced from PubChem (CID 145301337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).