5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium

C13H9NOSY-2 — CID 59825687

IUPAC5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium
SMILESO=Cc1ccc(C/[C-]=N/c2[c-]cccc2)s1.[Y]
InChIInChI=1S/C13H9NOS.Y/c15-10-13-7-6-12(16-13)8-9-14-11-4-2-1-3-5-11;/h1-4,6-7,10H,8H2;/q-2;
InChIKeyCQMFOAUBISEXKX-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.18
Rot. Bonds4

About 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium

5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium (PubChem CID 59825687) has the molecular formula C13H9NOSY-2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium.

Molecular Properties

Compound Name5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium
PubChem CID59825687
Molecular FormulaC13H9NOSY-2
Molecular Weight316.19 g/mol
Exact Mass315.95
IUPAC Name5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium
SMILESO=Cc1ccc(C/[C-]=N/c2[c-]cccc2)s1.[Y]
InChIInChI=1S/C13H9NOS.Y/c15-10-13-7-6-12(16-13)8-9-14-11-4-2-1-3-5-11;/h1-4,6-7,10H,8H2;/q-2;
InChIKeyCQMFOAUBISEXKX-UHFFFAOYSA-N
XLogP3.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium
CID 59825724
5-(2-Ethenyliminoethyl)thiophene-2-carbaldehyde
CID 59825725

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The IUPAC name of 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium (CID 59825687) is 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium.
What is the SMILES notation for 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The canonical SMILES for 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium is O=Cc1ccc(C/[C-]=N/c2[c-]cccc2)s1.[Y].
What is the InChIKey of 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The InChIKey is CQMFOAUBISEXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOS.Y/c15-10-13-7-6-12(16-13)8-9-14-11-4-2-1-3-5-11;/h1-4,6-7,10H,8H2;/q-2;.
What are the key properties of 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium has a molecular weight of 316.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyliminoethyl)thiophene-2-carbaldehyde;yttrium is sourced from PubChem (CID 59825687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).