but-1-ene;2-thiophen-3-ylprop-2-en-1-imine

C11H15NS — CID 143157882

IUPACbut-1-ene;2-thiophen-3-ylprop-2-en-1-imine
SMILESC=CCC.[H]/N=C/C(=C)c1ccsc1
InChIInChI=1S/C7H7NS.C4H8/c1-6(4-8)7-2-3-9-5-7;1-3-4-2/h2-5,8H,1H2;3H,1,4H2,2H3/b8-4+;
InChIKeyJLOLBJJAPAWPMH-ZFXMFRGYSA-N
MW193.31 g/mol
LogP3.99
Rot. Bonds3

About but-1-ene;2-thiophen-3-ylprop-2-en-1-imine

but-1-ene;2-thiophen-3-ylprop-2-en-1-imine (PubChem CID 143157882) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is but-1-ene;2-thiophen-3-ylprop-2-en-1-imine.

Molecular Properties

Compound Namebut-1-ene;2-thiophen-3-ylprop-2-en-1-imine
PubChem CID143157882
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Namebut-1-ene;2-thiophen-3-ylprop-2-en-1-imine
SMILESC=CCC.[H]/N=C/C(=C)c1ccsc1
InChIInChI=1S/C7H7NS.C4H8/c1-6(4-8)7-2-3-9-5-7;1-3-4-2/h2-5,8H,1H2;3H,1,4H2,2H3/b8-4+;
InChIKeyJLOLBJJAPAWPMH-ZFXMFRGYSA-N
XLogP3.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-buta-1,3-dien-2-ylthiophene;ethane;prop-1-ene
CID 143157871
3-but-1-en-2-ylthiophene
CID 91086928
ethene;(Z)-4-imino-2,3-di(thiophen-3-yl)but-2-enamide
CID 143625473
N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
CID 143220817
2-[4-(bromomethyl)phenyl]prop-2-en-1-imine
CID 170786407
N-[(1E)-2-thiophen-3-ylbuta-1,3-dienyl]ethanimine
CID 142049337
methyl thiophene-3-carboximidate
CID 15211507
3-thiophen-3-ylbut-2-en-1-amine
CID 76997053
N,N-dimethylthiophene-3-carboximidamide
CID 63181251
ethyl 2-thiophen-3-ylprop-2-enoate
CID 89199275
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
CID 125485859
thiophene-3-carboximidamide;hydrochloride
CID 2779692

Frequently Asked Questions

What is the IUPAC name of but-1-ene;2-thiophen-3-ylprop-2-en-1-imine?
The IUPAC name of but-1-ene;2-thiophen-3-ylprop-2-en-1-imine (CID 143157882) is but-1-ene;2-thiophen-3-ylprop-2-en-1-imine.
What is the SMILES notation for but-1-ene;2-thiophen-3-ylprop-2-en-1-imine?
The canonical SMILES for but-1-ene;2-thiophen-3-ylprop-2-en-1-imine is C=CCC.[H]/N=C/C(=C)c1ccsc1.
What is the InChIKey of but-1-ene;2-thiophen-3-ylprop-2-en-1-imine?
The InChIKey is JLOLBJJAPAWPMH-ZFXMFRGYSA-N. The full InChI is InChI=1S/C7H7NS.C4H8/c1-6(4-8)7-2-3-9-5-7;1-3-4-2/h2-5,8H,1H2;3H,1,4H2,2H3/b8-4+;.
What are the key properties of but-1-ene;2-thiophen-3-ylprop-2-en-1-imine?
but-1-ene;2-thiophen-3-ylprop-2-en-1-imine has a molecular weight of 193.31 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;2-thiophen-3-ylprop-2-en-1-imine is sourced from PubChem (CID 143157882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).