(E)-3-thiophen-2-ylprop-2-en-1-amine

C7H9NS — CID 15579988

IUPAC(E)-3-thiophen-2-ylprop-2-en-1-amine
SMILESNC/C=C/c1cccs1
InChIInChI=1S/C7H9NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5,8H2/b3-1+
InChIKeyXRCJLSVURJLMQM-HNQUOIGGSA-N
MW139.22 g/mol
LogP1.72
Rot. Bonds2

About (E)-3-thiophen-2-ylprop-2-en-1-amine

(E)-3-thiophen-2-ylprop-2-en-1-amine (PubChem CID 15579988) has the molecular formula C7H9NS and a molecular weight of 139.22 g/mol. Its IUPAC name is (E)-3-thiophen-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-thiophen-2-ylprop-2-en-1-amine
PubChem CID15579988
Molecular FormulaC7H9NS
Molecular Weight139.22 g/mol
Exact Mass139.05
IUPAC Name(E)-3-thiophen-2-ylprop-2-en-1-amine
SMILESNC/C=C/c1cccs1
InChIInChI=1S/C7H9NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5,8H2/b3-1+
InChIKeyXRCJLSVURJLMQM-HNQUOIGGSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-thiophen-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-thiophen-2-ylprop-2-en-1-amine (CID 15579988) is (E)-3-thiophen-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-thiophen-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-thiophen-2-ylprop-2-en-1-amine is NC/C=C/c1cccs1.
What is the InChIKey of (E)-3-thiophen-2-ylprop-2-en-1-amine?
The InChIKey is XRCJLSVURJLMQM-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H9NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H,5,8H2/b3-1+.
What are the key properties of (E)-3-thiophen-2-ylprop-2-en-1-amine?
(E)-3-thiophen-2-ylprop-2-en-1-amine has a molecular weight of 139.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-thiophen-2-ylprop-2-en-1-amine is sourced from PubChem (CID 15579988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).