1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine

C14H17NS — CID 138605380

IUPAC1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine
SMILESC=Cc1c(/C=N/C)sc(/C=C\C)c1/C=C\C
InChIInChI=1S/C14H17NS/c1-5-8-12-11(7-3)14(10-15-4)16-13(12)9-6-2/h5-10H,3H2,1-2,4H3/b8-5-,9-6-,15-10+
InChIKeyNPUKBAYGIAQFOH-GUCCZWLZSA-N
MW231.36 g/mol
LogP4.51
Rot. Bonds4

About 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine

1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine (PubChem CID 138605380) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine
PubChem CID138605380
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine
SMILESC=Cc1c(/C=N/C)sc(/C=C\C)c1/C=C\C
InChIInChI=1S/C14H17NS/c1-5-8-12-11(7-3)14(10-15-4)16-13(12)9-6-2/h5-10H,3H2,1-2,4H3/b8-5-,9-6-,15-10+
InChIKeyNPUKBAYGIAQFOH-GUCCZWLZSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
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 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine?
The IUPAC name of 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine (CID 138605380) is 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine.
What is the SMILES notation for 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine?
The canonical SMILES for 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine is C=Cc1c(/C=N/C)sc(/C=C\C)c1/C=C\C.
What is the InChIKey of 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine?
The InChIKey is NPUKBAYGIAQFOH-GUCCZWLZSA-N. The full InChI is InChI=1S/C14H17NS/c1-5-8-12-11(7-3)14(10-15-4)16-13(12)9-6-2/h5-10H,3H2,1-2,4H3/b8-5-,9-6-,15-10+.
What are the key properties of 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine?
1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine has a molecular weight of 231.36 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4,5-bis[(Z)-prop-1-enyl]thiophen-2-yl]-N-methylmethanimine is sourced from PubChem (CID 138605380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).