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

C9H7NOSY-2 — CID 59825724

IUPAC5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium
SMILES[H]/[C-]=C/N=[C-]/Cc1ccc(C=O)s1.[Y]
InChIInChI=1S/C9H7NOS.Y/c1-2-10-6-5-8-3-4-9(7-11)12-8;/h1-4,7H,5H2;/q-2;
InChIKeyYGQPFLSUGFHFJC-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.00
Rot. Bonds4

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

5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium (PubChem CID 59825724) has the molecular formula C9H7NOSY-2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium.

Molecular Properties

Compound Name5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium
PubChem CID59825724
Molecular FormulaC9H7NOSY-2
Molecular Weight266.13 g/mol
Exact Mass265.93
IUPAC Name5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium
SMILES[H]/[C-]=C/N=[C-]/Cc1ccc(C=O)s1.[Y]
InChIInChI=1S/C9H7NOS.Y/c1-2-10-6-5-8-3-4-9(7-11)12-8;/h1-4,7H,5H2;/q-2;
InChIKeyYGQPFLSUGFHFJC-UHFFFAOYSA-N
XLogP2.00
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.00
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

3H-pyrrol-2-yl(thiophen-2-yl)methanone
CID 58171448
5-(2-Phenyliminoethyl)thiophene-2-carbaldehyde;yttrium
CID 59825687
5-[(E)-1-ethenyliminobut-2-en-2-yl]thiophene-2-carbaldehyde
CID 142128630
5-(2-Methyl-2,5-dihydro-1,3-thiazol-4-yl)thiophene-2-carbaldehyde
CID 145448884
5-(2-Ethenyliminoethyl)thiophene-2-carbaldehyde
CID 59825725

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The IUPAC name of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium (CID 59825724) is 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium.
What is the SMILES notation for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The canonical SMILES for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium is [H]/[C-]=C/N=[C-]/Cc1ccc(C=O)s1.[Y].
What is the InChIKey of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
The InChIKey is YGQPFLSUGFHFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS.Y/c1-2-10-6-5-8-3-4-9(7-11)12-8;/h1-4,7H,5H2;/q-2;.
What are the key properties of 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium?
5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium has a molecular weight of 266.13 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethenyliminoethyl)thiophene-2-carbaldehyde;yttrium is sourced from PubChem (CID 59825724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).