N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine

C10H13NS — CID 143220817

IUPACN-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
SMILESC/C=C(\N=C\CC)c1ccsc1
InChIInChI=1S/C10H13NS/c1-3-6-11-10(4-2)9-5-7-12-8-9/h4-8H,3H2,1-2H3/b10-4-,11-6+
InChIKeyPOPFKOBHZYWQHG-FZPAMEBWSA-N
MW179.29 g/mol
LogP3.59
Rot. Bonds3

About N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine

N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine (PubChem CID 143220817) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
PubChem CID143220817
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine
SMILESC/C=C(\N=C\CC)c1ccsc1
InChIInChI=1S/C10H13NS/c1-3-6-11-10(4-2)9-5-7-12-8-9/h4-8H,3H2,1-2H3/b10-4-,11-6+
InChIKeyPOPFKOBHZYWQHG-FZPAMEBWSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-but-1-en-2-ylthiophene
CID 91086928
3-thiophen-3-ylbut-2-en-1-amine
CID 76997053
(2E)-2-ethylidene-1-thiophen-3-ylpentan-1-one
CID 125485859
2-thiophen-3-ylbut-2-enal
CID 173416997
3-butan-2-ylimino-1-thiophen-3-ylpropan-1-one
CID 91575240
N-[(1E)-2-thiophen-3-ylbuta-1,3-dienyl]ethanimine
CID 142049337
2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
3-buta-1,3-dien-2-ylthiophene;ethane;prop-1-ene
CID 143157871
N-ethoxy-1-(4-methylphenyl)-1-thiophen-3-ylmethanimine
CID 76608219
but-1-ene;2-thiophen-3-ylprop-2-en-1-imine
CID 143157882
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
N-(1-ethylpiperidin-4-yl)-N-methylthiophene-3-carboxamide
CID 60559786

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine?
The IUPAC name of N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine (CID 143220817) is N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine?
The canonical SMILES for N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine is C/C=C(\N=C\CC)c1ccsc1.
What is the InChIKey of N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine?
The InChIKey is POPFKOBHZYWQHG-FZPAMEBWSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-6-11-10(4-2)9-5-7-12-8-9/h4-8H,3H2,1-2H3/b10-4-,11-6+.
What are the key properties of N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine?
N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine has a molecular weight of 179.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-thiophen-3-ylprop-1-enyl]propan-1-imine is sourced from PubChem (CID 143220817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).