2-(1-benzofuran-3-yl)-N-prop-2-enylaniline

C17H15NO — CID 102518264

IUPAC2-(1-benzofuran-3-yl)-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1-c1coc2ccccc12
InChIInChI=1S/C17H15NO/c1-2-11-18-16-9-5-3-7-13(16)15-12-19-17-10-6-4-8-14(15)17/h2-10,12,18H,1,11H2
InChIKeyCDJIEFIYKLKPIJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.70
Rot. Bonds4

About 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline

2-(1-benzofuran-3-yl)-N-prop-2-enylaniline (PubChem CID 102518264) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-(1-benzofuran-3-yl)-N-prop-2-enylaniline
PubChem CID102518264
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(1-benzofuran-3-yl)-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1-c1coc2ccccc12
InChIInChI=1S/C17H15NO/c1-2-11-18-16-9-5-3-7-13(16)15-12-19-17-10-6-4-8-14(15)17/h2-10,12,18H,1,11H2
InChIKeyCDJIEFIYKLKPIJ-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(prop-2-enylamino)phenyl]methanol
CID 15084062
1,8-bis(prop-2-enylamino)anthracene-9,10-dione
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3-(prop-2-enylamino)chromen-2-one
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CID 115750474
2-(1-benzofuran-3-yl)-6-chloroaniline
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3-(2-cyclohepta-2,4,6-trien-1-ylphenyl)-1-benzofuran
CID 102065591
3-(1-benzothiophen-3-yl)-1-benzofuran
CID 90722056
3-(4-methylphenyl)-1-benzofuran
CID 11160085
N-(1-benzofuran-3-ylmethyl)-2-fluoroaniline
CID 80701548
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4-(1-benzofuran-3-yl)benzaldehyde
CID 21320302

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline?
The IUPAC name of 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline (CID 102518264) is 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline.
What is the SMILES notation for 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline?
The canonical SMILES for 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline is C=CCNc1ccccc1-c1coc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline?
The InChIKey is CDJIEFIYKLKPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-11-18-16-9-5-3-7-13(16)15-12-19-17-10-6-4-8-14(15)17/h2-10,12,18H,1,11H2.
What are the key properties of 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline?
2-(1-benzofuran-3-yl)-N-prop-2-enylaniline has a molecular weight of 249.31 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-3-yl)-N-prop-2-enylaniline is sourced from PubChem (CID 102518264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).