1-(4-bromophenyl)-N-prop-2-enylmethanimine

C10H10BrN — CID 11436030

IUPAC1-(4-bromophenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,8H,1,7H2/b12-8+
InChIKeySPPMBEFRSRCFRC-XYOKQWHBSA-N
MW224.10 g/mol
LogP3.05
Rot. Bonds3

About 1-(4-bromophenyl)-N-prop-2-enylmethanimine

1-(4-bromophenyl)-N-prop-2-enylmethanimine (PubChem CID 11436030) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-prop-2-enylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-prop-2-enylmethanimine
PubChem CID11436030
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name1-(4-bromophenyl)-N-prop-2-enylmethanimine
SMILESC=CC/N=C/c1ccc(Br)cc1
InChIInChI=1S/C10H10BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,8H,1,7H2/b12-8+
InChIKeySPPMBEFRSRCFRC-XYOKQWHBSA-N
XLogP3.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-prop-2-enylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-prop-2-enylmethanimine (CID 11436030) is 1-(4-bromophenyl)-N-prop-2-enylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-prop-2-enylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-prop-2-enylmethanimine is C=CC/N=C/c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-prop-2-enylmethanimine?
The InChIKey is SPPMBEFRSRCFRC-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H10BrN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,8H,1,7H2/b12-8+.
What are the key properties of 1-(4-bromophenyl)-N-prop-2-enylmethanimine?
1-(4-bromophenyl)-N-prop-2-enylmethanimine has a molecular weight of 224.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-prop-2-enylmethanimine is sourced from PubChem (CID 11436030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).