1-[3-(methylideneamino)thiophen-2-yl]ethenol

C7H7NOS — CID 143171755

IUPAC1-[3-(methylideneamino)thiophen-2-yl]ethenol
SMILESC=Nc1ccsc1C(=C)O
InChIInChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-4,9H,1-2H2
InChIKeyQCGFWHGTTAZQPM-UHFFFAOYSA-N
MW153.21 g/mol
LogP2.61
Rot. Bonds2

About 1-[3-(methylideneamino)thiophen-2-yl]ethenol

1-[3-(methylideneamino)thiophen-2-yl]ethenol (PubChem CID 143171755) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 1-[3-(methylideneamino)thiophen-2-yl]ethenol.

Molecular Properties

Compound Name1-[3-(methylideneamino)thiophen-2-yl]ethenol
PubChem CID143171755
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name1-[3-(methylideneamino)thiophen-2-yl]ethenol
SMILESC=Nc1ccsc1C(=C)O
InChIInChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-4,9H,1-2H2
InChIKeyQCGFWHGTTAZQPM-UHFFFAOYSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylideneamino)thiophen-2-yl]ethenol?
The IUPAC name of 1-[3-(methylideneamino)thiophen-2-yl]ethenol (CID 143171755) is 1-[3-(methylideneamino)thiophen-2-yl]ethenol.
What is the SMILES notation for 1-[3-(methylideneamino)thiophen-2-yl]ethenol?
The canonical SMILES for 1-[3-(methylideneamino)thiophen-2-yl]ethenol is C=Nc1ccsc1C(=C)O.
What is the InChIKey of 1-[3-(methylideneamino)thiophen-2-yl]ethenol?
The InChIKey is QCGFWHGTTAZQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-5(9)7-6(8-2)3-4-10-7/h3-4,9H,1-2H2.
What are the key properties of 1-[3-(methylideneamino)thiophen-2-yl]ethenol?
1-[3-(methylideneamino)thiophen-2-yl]ethenol has a molecular weight of 153.21 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylideneamino)thiophen-2-yl]ethenol is sourced from PubChem (CID 143171755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).