N-prop-1-en-2-ylethanimidoyl bromide

C5H8BrN — CID 143819356

IUPACN-prop-1-en-2-ylethanimidoyl bromide
SMILESC=C(C)/N=C(\C)Br
InChIInChI=1S/C5H8BrN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+
InChIKeyXDRDUACOLJZCFM-FNORWQNLSA-N
MW162.03 g/mol
LogP2.33
Rot. Bonds1

About N-prop-1-en-2-ylethanimidoyl bromide

N-prop-1-en-2-ylethanimidoyl bromide (PubChem CID 143819356) has the molecular formula C5H8BrN and a molecular weight of 162.03 g/mol. Its IUPAC name is N-prop-1-en-2-ylethanimidoyl bromide.

Molecular Properties

Compound NameN-prop-1-en-2-ylethanimidoyl bromide
PubChem CID143819356
Molecular FormulaC5H8BrN
Molecular Weight162.03 g/mol
Exact Mass160.98
IUPAC NameN-prop-1-en-2-ylethanimidoyl bromide
SMILESC=C(C)/N=C(\C)Br
InChIInChI=1S/C5H8BrN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+
InChIKeyXDRDUACOLJZCFM-FNORWQNLSA-N
XLogP2.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 52.33
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-prop-1-en-2-ylpropan-2-imine
CID 22947363
N-[(Z)-but-2-en-2-yl]ethanimidoyl bromide
CID 129231874
N-prop-1-en-2-ylprop-2-enimidoyl bromide
CID 145301337

Frequently Asked Questions

What is the IUPAC name of N-prop-1-en-2-ylethanimidoyl bromide?
The IUPAC name of N-prop-1-en-2-ylethanimidoyl bromide (CID 143819356) is N-prop-1-en-2-ylethanimidoyl bromide.
What is the SMILES notation for N-prop-1-en-2-ylethanimidoyl bromide?
The canonical SMILES for N-prop-1-en-2-ylethanimidoyl bromide is C=C(C)/N=C(\C)Br.
What is the InChIKey of N-prop-1-en-2-ylethanimidoyl bromide?
The InChIKey is XDRDUACOLJZCFM-FNORWQNLSA-N. The full InChI is InChI=1S/C5H8BrN/c1-4(2)7-5(3)6/h1H2,2-3H3/b7-5+.
What are the key properties of N-prop-1-en-2-ylethanimidoyl bromide?
N-prop-1-en-2-ylethanimidoyl bromide has a molecular weight of 162.03 g/mol, XLogP of 2.33, 1 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-ylethanimidoyl bromide is sourced from PubChem (CID 143819356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).