(E)-2-thiophen-2-ylprop-1-en-1-amine

C7H9NS — CID 10464400

IUPAC(E)-2-thiophen-2-ylprop-1-en-1-amine
SMILESC/C(=C\N)c1cccs1
InChIInChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-5H,8H2,1H3/b6-5+
InChIKeyBAZLLQZUMIMLHP-AATRIKPKSA-N
MW139.22 g/mol
LogP2.07
Rot. Bonds1

About (E)-2-thiophen-2-ylprop-1-en-1-amine

(E)-2-thiophen-2-ylprop-1-en-1-amine (PubChem CID 10464400) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (E)-2-thiophen-2-ylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-thiophen-2-ylprop-1-en-1-amine
PubChem CID10464400
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(E)-2-thiophen-2-ylprop-1-en-1-amine
SMILESC/C(=C\N)c1cccs1
InChIInChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-5H,8H2,1H3/b6-5+
InChIKeyBAZLLQZUMIMLHP-AATRIKPKSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-thiophen-2-ylprop-1-en-1-amine?
The IUPAC name of (E)-2-thiophen-2-ylprop-1-en-1-amine (CID 10464400) is (E)-2-thiophen-2-ylprop-1-en-1-amine.
What is the SMILES notation for (E)-2-thiophen-2-ylprop-1-en-1-amine?
The canonical SMILES for (E)-2-thiophen-2-ylprop-1-en-1-amine is C/C(=C\N)c1cccs1.
What is the InChIKey of (E)-2-thiophen-2-ylprop-1-en-1-amine?
The InChIKey is BAZLLQZUMIMLHP-AATRIKPKSA-N. The full InChI is InChI=1S/C7H9NS/c1-6(5-8)7-3-2-4-9-7/h2-5H,8H2,1H3/b6-5+.
What are the key properties of (E)-2-thiophen-2-ylprop-1-en-1-amine?
(E)-2-thiophen-2-ylprop-1-en-1-amine has a molecular weight of 139.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-thiophen-2-ylprop-1-en-1-amine is sourced from PubChem (CID 10464400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).