3-(3-ethyl-4-pyridinyl)prop-2-enal

C10H11NO — CID 141477371

IUPAC3-(3-ethyl-4-pyridinyl)prop-2-enal
SMILESCCc1cnccc1C=CC=O
InChIInChI=1S/C10H11NO/c1-2-9-8-11-6-5-10(9)4-3-7-12/h3-8H,2H2,1H3
InChIKeyJEXLFGCASDAEFU-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.86
Rot. Bonds3

About 3-(3-ethyl-4-pyridinyl)prop-2-enal

3-(3-ethyl-4-pyridinyl)prop-2-enal (PubChem CID 141477371) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-(3-ethyl-4-pyridinyl)prop-2-enal.

Molecular Properties

Compound Name3-(3-ethyl-4-pyridinyl)prop-2-enal
PubChem CID141477371
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name3-(3-ethyl-4-pyridinyl)prop-2-enal
SMILESCCc1cnccc1C=CC=O
InChIInChI=1S/C10H11NO/c1-2-9-8-11-6-5-10(9)4-3-7-12/h3-8H,2H2,1H3
InChIKeyJEXLFGCASDAEFU-UHFFFAOYSA-N
XLogP1.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(3-ethyl-4-pyridinyl)prop-2-enal?
The IUPAC name of 3-(3-ethyl-4-pyridinyl)prop-2-enal (CID 141477371) is 3-(3-ethyl-4-pyridinyl)prop-2-enal.
What is the SMILES notation for 3-(3-ethyl-4-pyridinyl)prop-2-enal?
The canonical SMILES for 3-(3-ethyl-4-pyridinyl)prop-2-enal is CCc1cnccc1C=CC=O.
What is the InChIKey of 3-(3-ethyl-4-pyridinyl)prop-2-enal?
The InChIKey is JEXLFGCASDAEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-9-8-11-6-5-10(9)4-3-7-12/h3-8H,2H2,1H3.
What are the key properties of 3-(3-ethyl-4-pyridinyl)prop-2-enal?
3-(3-ethyl-4-pyridinyl)prop-2-enal has a molecular weight of 161.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-pyridinyl)prop-2-enal is sourced from PubChem (CID 141477371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).