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

C17H15NS — CID 139252449

IUPAC2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1-c1csc2ccccc12
InChIInChI=1S/C17H15NS/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
InChIKeyQVNPNZKHSWKNIA-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.17
Rot. Bonds4

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

2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline (PubChem CID 139252449) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline
PubChem CID139252449
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline
SMILESC=CCNc1ccccc1-c1csc2ccccc12
InChIInChI=1S/C17H15NS/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
InChIKeyQVNPNZKHSWKNIA-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline?
The IUPAC name of 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline (CID 139252449) is 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline is C=CCNc1ccccc1-c1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline?
The InChIKey is QVNPNZKHSWKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/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-benzothiophen-3-yl)-N-prop-2-enylaniline?
2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline has a molecular weight of 265.38 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-N-prop-2-enylaniline is sourced from PubChem (CID 139252449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).