N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine

C16H13NS — CID 144680106

IUPACN-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine
SMILESC=Nc1ccccc1/C(C#Cc1cccs1)=C\C
InChIInChI=1S/C16H13NS/c1-3-13(10-11-14-7-6-12-18-14)15-8-4-5-9-16(15)17-2/h3-9,12H,2H2,1H3/b13-3-
InChIKeyJJCZUFSITVFGFU-DXNYSGJVSA-N
MW251.35 g/mol
LogP4.54
Rot. Bonds2

About N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine

N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine (PubChem CID 144680106) has the molecular formula C16H13NS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine.

Molecular Properties

Compound NameN-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine
PubChem CID144680106
Molecular FormulaC16H13NS
Molecular Weight251.35 g/mol
Exact Mass251.08
IUPAC NameN-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine
SMILESC=Nc1ccccc1/C(C#Cc1cccs1)=C\C
InChIInChI=1S/C16H13NS/c1-3-13(10-11-14-7-6-12-18-14)15-8-4-5-9-16(15)17-2/h3-9,12H,2H2,1H3/b13-3-
InChIKeyJJCZUFSITVFGFU-DXNYSGJVSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine?
The IUPAC name of N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine (CID 144680106) is N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine.
What is the SMILES notation for N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine?
The canonical SMILES for N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine is C=Nc1ccccc1/C(C#Cc1cccs1)=C\C.
What is the InChIKey of N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine?
The InChIKey is JJCZUFSITVFGFU-DXNYSGJVSA-N. The full InChI is InChI=1S/C16H13NS/c1-3-13(10-11-14-7-6-12-18-14)15-8-4-5-9-16(15)17-2/h3-9,12H,2H2,1H3/b13-3-.
What are the key properties of N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine?
N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine has a molecular weight of 251.35 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-1-thiophen-2-ylpent-3-en-1-yn-3-yl]phenyl]methanimine is sourced from PubChem (CID 144680106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).