but-2-enal;pyridine

C9H11NO — CID 174947600

IUPACbut-2-enal;pyridine
SMILESCC=CC=O.c1ccncc1
InChIInChI=1S/C5H5N.C4H6O/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-4H,1H3
InChIKeyVPJMRPMQFIGPSL-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.84
Rot. Bonds1

About but-2-enal;pyridine

but-2-enal;pyridine (PubChem CID 174947600) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is but-2-enal;pyridine.

Molecular Properties

Compound Namebut-2-enal;pyridine
PubChem CID174947600
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Namebut-2-enal;pyridine
SMILESCC=CC=O.c1ccncc1
InChIInChI=1S/C5H5N.C4H6O/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-4H,1H3
InChIKeyVPJMRPMQFIGPSL-UHFFFAOYSA-N
XLogP1.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.84
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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Related Compounds

but-2-enal;chromium
CID 174881364
but-2-enal;hydron
CID 174715160
methanethioic S-acid;pyridine
CID 163488022
formic acid;bis(pyridine)
CID 158008580
copper;pyridine;sulfane
CID 174464612
pyridine
CID 67755510
pyridine
CID 160878650
1,5-diazecine
CID 53440348
ethane;methane;pyridine
CID 159650211
copper;pyridine;silver;sulfane
CID 174633461
pyridine bromide
CID 19422742
bis(pyridine);hydrochloride
CID 68793121

Frequently Asked Questions

What is the IUPAC name of but-2-enal;pyridine?
The IUPAC name of but-2-enal;pyridine (CID 174947600) is but-2-enal;pyridine.
What is the SMILES notation for but-2-enal;pyridine?
The canonical SMILES for but-2-enal;pyridine is CC=CC=O.c1ccncc1.
What is the InChIKey of but-2-enal;pyridine?
The InChIKey is VPJMRPMQFIGPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C4H6O/c1-2-4-6-5-3-1;1-2-3-4-5/h1-5H;2-4H,1H3.
What are the key properties of but-2-enal;pyridine?
but-2-enal;pyridine has a molecular weight of 149.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enal;pyridine is sourced from PubChem (CID 174947600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).