[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane

C16H23NS — CID 144591040

IUPAC[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane
SMILESCC.[H]/N=C/c1sc(/C=C\C)c(C=C)c1/C=C\CC
InChIInChI=1S/C14H17NS.C2H6/c1-4-7-9-12-11(6-3)13(8-5-2)16-14(12)10-15;1-2/h5-10,15H,3-4H2,1-2H3;1-2H3/b8-5-,9-7-,15-10+;
InChIKeyOFKNEPSAUNITPC-XHIFWGKOSA-N
MW261.43 g/mol
LogP5.87
Rot. Bonds5

About [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane

[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane (PubChem CID 144591040) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane.

Molecular Properties

Compound Name[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane
PubChem CID144591040
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC Name[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane
SMILESCC.[H]/N=C/c1sc(/C=C\C)c(C=C)c1/C=C\CC
InChIInChI=1S/C14H17NS.C2H6/c1-4-7-9-12-11(6-3)13(8-5-2)16-14(12)10-15;1-2/h5-10,15H,3-4H2,1-2H3;1-2H3/b8-5-,9-7-,15-10+;
InChIKeyOFKNEPSAUNITPC-XHIFWGKOSA-N
XLogP5.87
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.43
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane?
The IUPAC name of [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane (CID 144591040) is [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane.
What is the SMILES notation for [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane?
The canonical SMILES for [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane is CC.[H]/N=C/c1sc(/C=C\C)c(C=C)c1/C=C\CC.
What is the InChIKey of [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane?
The InChIKey is OFKNEPSAUNITPC-XHIFWGKOSA-N. The full InChI is InChI=1S/C14H17NS.C2H6/c1-4-7-9-12-11(6-3)13(8-5-2)16-14(12)10-15;1-2/h5-10,15H,3-4H2,1-2H3;1-2H3/b8-5-,9-7-,15-10+;.
What are the key properties of [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane?
[3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane has a molecular weight of 261.43 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(Z)-but-1-enyl]-4-ethenyl-5-[(Z)-prop-1-enyl]thiophen-2-yl]methanimine;ethane is sourced from PubChem (CID 144591040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).