4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline

C13H12BrNO — CID 115884768

IUPAC4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline
SMILESBrc1ccc(NC/C=C/c2ccco2)cc1
InChIInChI=1S/C13H12BrNO/c14-11-5-7-12(8-6-11)15-9-1-3-13-4-2-10-16-13/h1-8,10,15H,9H2/b3-1+
InChIKeyDFZGKZJSDXHNPQ-HNQUOIGGSA-N
MW278.15 g/mol
LogP4.17
Rot. Bonds4

About 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline

4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline (PubChem CID 115884768) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline.

Molecular Properties

Compound Name4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline
PubChem CID115884768
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline
SMILESBrc1ccc(NC/C=C/c2ccco2)cc1
InChIInChI=1S/C13H12BrNO/c14-11-5-7-12(8-6-11)15-9-1-3-13-4-2-10-16-13/h1-8,10,15H,9H2/b3-1+
InChIKeyDFZGKZJSDXHNPQ-HNQUOIGGSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline?
The IUPAC name of 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline (CID 115884768) is 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline.
What is the SMILES notation for 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline?
The canonical SMILES for 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline is Brc1ccc(NC/C=C/c2ccco2)cc1.
What is the InChIKey of 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline?
The InChIKey is DFZGKZJSDXHNPQ-HNQUOIGGSA-N. The full InChI is InChI=1S/C13H12BrNO/c14-11-5-7-12(8-6-11)15-9-1-3-13-4-2-10-16-13/h1-8,10,15H,9H2/b3-1+.
What are the key properties of 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline?
4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline has a molecular weight of 278.15 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(E)-3-(furan-2-yl)prop-2-enyl]aniline is sourced from PubChem (CID 115884768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).