2-[4-(bromomethyl)phenyl]prop-2-en-1-imine

C10H10BrN — CID 170786407

IUPAC2-[4-(bromomethyl)phenyl]prop-2-en-1-imine
SMILES[H]/N=C/C(=C)c1ccc(CBr)cc1
InChIInChI=1S/C10H10BrN/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,7,12H,1,6H2/b12-7+
InChIKeyAACWDNGHFIDEHL-KPKJPENVSA-N
MW224.10 g/mol
LogP3.24
Rot. Bonds3

About 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine

2-[4-(bromomethyl)phenyl]prop-2-en-1-imine (PubChem CID 170786407) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-[4-(bromomethyl)phenyl]prop-2-en-1-imine
PubChem CID170786407
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name2-[4-(bromomethyl)phenyl]prop-2-en-1-imine
SMILES[H]/N=C/C(=C)c1ccc(CBr)cc1
InChIInChI=1S/C10H10BrN/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,7,12H,1,6H2/b12-7+
InChIKeyAACWDNGHFIDEHL-KPKJPENVSA-N
XLogP3.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine?
The IUPAC name of 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine (CID 170786407) is 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine.
What is the SMILES notation for 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine?
The canonical SMILES for 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine is [H]/N=C/C(=C)c1ccc(CBr)cc1.
What is the InChIKey of 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine?
The InChIKey is AACWDNGHFIDEHL-KPKJPENVSA-N. The full InChI is InChI=1S/C10H10BrN/c1-8(7-12)10-4-2-9(6-11)3-5-10/h2-5,7,12H,1,6H2/b12-7+.
What are the key properties of 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine?
2-[4-(bromomethyl)phenyl]prop-2-en-1-imine has a molecular weight of 224.10 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)phenyl]prop-2-en-1-imine is sourced from PubChem (CID 170786407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).