1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine

C11H15NS — CID 130815513

IUPAC1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1csc2c1CCCC2
InChIInChI=1S/C11H15NS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2,7,10H,1,3-6,12H2
InChIKeyVIDWDJKNEFPKFO-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.81
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine

1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine (PubChem CID 130815513) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine
PubChem CID130815513
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine
SMILESC=CC(N)c1csc2c1CCCC2
InChIInChI=1S/C11H15NS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2,7,10H,1,3-6,12H2
InChIKeyVIDWDJKNEFPKFO-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.81
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 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine (CID 130815513) is 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine is C=CC(N)c1csc2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine?
The InChIKey is VIDWDJKNEFPKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-2-10(12)9-7-13-11-6-4-3-5-8(9)11/h2,7,10H,1,3-6,12H2.
What are the key properties of 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine?
1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine has a molecular weight of 193.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 130815513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).