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

C9H9NO2 — CID 102492010

IUPAC(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
SMILESCO/C(C=O)=C\c1cccnc1
InChIInChI=1S/C9H9NO2/c1-12-9(7-11)5-8-3-2-4-10-6-8/h2-7H,1H3/b9-5-
InChIKeyBSUSILHSQFUMGQ-UITAMQMPSA-N
MW163.18 g/mol
LogP1.27
Rot. Bonds3

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

(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal (PubChem CID 102492010) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal.

Molecular Properties

Compound Name(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
PubChem CID102492010
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
SMILESCO/C(C=O)=C\c1cccnc1
InChIInChI=1S/C9H9NO2/c1-12-9(7-11)5-8-3-2-4-10-6-8/h2-7H,1H3/b9-5-
InChIKeyBSUSILHSQFUMGQ-UITAMQMPSA-N
XLogP1.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
CID 134965441
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
CID 5376942
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882
pyridine-3-carbaldehyde;hydrate;hydrochloride
CID 87987230
hydrazine;pyridine-3-carbaldehyde
CID 174684947
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
dihydroxy-methoxy-diphenyl-λ5-phosphane;pyridine-3-carbaldehyde
CID 161103202
methyl N-[(E)-2-pyridin-3-ylethenyl]carbamate
CID 22096594
methyl (E)-4-pyridin-3-ylbut-3-enoate
CID 11513847

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal?
The IUPAC name of (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal (CID 102492010) is (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal.
What is the SMILES notation for (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal?
The canonical SMILES for (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal is CO/C(C=O)=C\c1cccnc1.
What is the InChIKey of (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal?
The InChIKey is BSUSILHSQFUMGQ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H9NO2/c1-12-9(7-11)5-8-3-2-4-10-6-8/h2-7H,1H3/b9-5-.
What are the key properties of (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal?
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal has a molecular weight of 163.18 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-3-pyridin-3-ylprop-2-enal is sourced from PubChem (CID 102492010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).