(Z)-3-pyridin-4-ylprop-2-enal

C8H7NO — CID 99864035

IUPAC(Z)-3-pyridin-4-ylprop-2-enal
SMILESO=C/C=C\c1ccncc1
InChIInChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1-
InChIKeyPEIRJCZXFPMXTI-UPHRSURJSA-N
MW133.15 g/mol
LogP1.29
Rot. Bonds2

About (Z)-3-pyridin-4-ylprop-2-enal

(Z)-3-pyridin-4-ylprop-2-enal (PubChem CID 99864035) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (Z)-3-pyridin-4-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-pyridin-4-ylprop-2-enal
PubChem CID99864035
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(Z)-3-pyridin-4-ylprop-2-enal
SMILESO=C/C=C\c1ccncc1
InChIInChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1-
InChIKeyPEIRJCZXFPMXTI-UPHRSURJSA-N
XLogP1.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.29
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

3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
3-Pyridinecarboxaldehyde
CID 10371
Isonicotinamide
CID 15074
4-Acetylpyridine
CID 14282
4-Pyridinecarboxaldehyde
CID 13389
4-Ethylpyridine
CID 10822
3-Ethyl-4-methylpyridine
CID 68254
3,4-Dimethylpyridine
CID 11417
3-Vinylpyridine
CID 14272
4-Pyridinealdoxime
CID 135460230

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-4-ylprop-2-enal?
The IUPAC name of (Z)-3-pyridin-4-ylprop-2-enal (CID 99864035) is (Z)-3-pyridin-4-ylprop-2-enal.
What is the SMILES notation for (Z)-3-pyridin-4-ylprop-2-enal?
The canonical SMILES for (Z)-3-pyridin-4-ylprop-2-enal is O=C/C=C\c1ccncc1.
What is the InChIKey of (Z)-3-pyridin-4-ylprop-2-enal?
The InChIKey is PEIRJCZXFPMXTI-UPHRSURJSA-N. The full InChI is InChI=1S/C8H7NO/c10-7-1-2-8-3-5-9-6-4-8/h1-7H/b2-1-.
What are the key properties of (Z)-3-pyridin-4-ylprop-2-enal?
(Z)-3-pyridin-4-ylprop-2-enal has a molecular weight of 133.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-pyridin-4-ylprop-2-enal is sourced from PubChem (CID 99864035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).