(E)-3-(5-methoxythiophen-2-yl)prop-2-enal

C8H8O2S — CID 10034993

IUPAC(E)-3-(5-methoxythiophen-2-yl)prop-2-enal
SMILESCOc1ccc(/C=C/C=O)s1
InChIInChI=1S/C8H8O2S/c1-10-8-5-4-7(11-8)3-2-6-9/h2-6H,1H3/b3-2+
InChIKeyQXLNSWDBEHXVTE-NSCUHMNNSA-N
MW168.22 g/mol
LogP1.97
Rot. Bonds3

About (E)-3-(5-methoxythiophen-2-yl)prop-2-enal

(E)-3-(5-methoxythiophen-2-yl)prop-2-enal (PubChem CID 10034993) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is (E)-3-(5-methoxythiophen-2-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(5-methoxythiophen-2-yl)prop-2-enal
PubChem CID10034993
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name(E)-3-(5-methoxythiophen-2-yl)prop-2-enal
SMILESCOc1ccc(/C=C/C=O)s1
InChIInChI=1S/C8H8O2S/c1-10-8-5-4-7(11-8)3-2-6-9/h2-6H,1H3/b3-2+
InChIKeyQXLNSWDBEHXVTE-NSCUHMNNSA-N
XLogP1.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methoxythiophen-2-yl)prop-2-enal?
The IUPAC name of (E)-3-(5-methoxythiophen-2-yl)prop-2-enal (CID 10034993) is (E)-3-(5-methoxythiophen-2-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(5-methoxythiophen-2-yl)prop-2-enal?
The canonical SMILES for (E)-3-(5-methoxythiophen-2-yl)prop-2-enal is COc1ccc(/C=C/C=O)s1.
What is the InChIKey of (E)-3-(5-methoxythiophen-2-yl)prop-2-enal?
The InChIKey is QXLNSWDBEHXVTE-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H8O2S/c1-10-8-5-4-7(11-8)3-2-6-9/h2-6H,1H3/b3-2+.
What are the key properties of (E)-3-(5-methoxythiophen-2-yl)prop-2-enal?
(E)-3-(5-methoxythiophen-2-yl)prop-2-enal has a molecular weight of 168.22 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methoxythiophen-2-yl)prop-2-enal is sourced from PubChem (CID 10034993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).