5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine

C7H11NS — CID 144731289

IUPAC5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine
SMILESC/C=C/C1=CCC(N)S1
InChIInChI=1S/C7H11NS/c1-2-3-6-4-5-7(8)9-6/h2-4,7H,5,8H2,1H3/b3-2+
InChIKeyUYUBDJGUFHBIKR-NSCUHMNNSA-N
MW141.24 g/mol
LogP1.87
Rot. Bonds1

About 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine

5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine (PubChem CID 144731289) has the molecular formula C7H11NS and a molecular weight of 141.24 g/mol. Its IUPAC name is 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine
PubChem CID144731289
Molecular FormulaC7H11NS
Molecular Weight141.24 g/mol
Exact Mass141.06
IUPAC Name5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine
SMILESC/C=C/C1=CCC(N)S1
InChIInChI=1S/C7H11NS/c1-2-3-6-4-5-7(8)9-6/h2-4,7H,5,8H2,1H3/b3-2+
InChIKeyUYUBDJGUFHBIKR-NSCUHMNNSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine?
The IUPAC name of 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine (CID 144731289) is 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine?
The canonical SMILES for 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine is C/C=C/C1=CCC(N)S1.
What is the InChIKey of 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine?
The InChIKey is UYUBDJGUFHBIKR-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11NS/c1-2-3-6-4-5-7(8)9-6/h2-4,7H,5,8H2,1H3/b3-2+.
What are the key properties of 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine?
5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine has a molecular weight of 141.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-prop-1-enyl]-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 144731289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).