(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide

C11H10N2O2 — CID 173269865

IUPAC(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
SMILESC=CNC(=O)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C11H10N2O2/c1-2-12-11(15)9(8-14)7-10-5-3-4-6-13-10/h2-8H,1H2,(H,12,15)/b9-7+
InChIKeyNJCYLGDNUBIACH-VQHVLOKHSA-N
MW202.21 g/mol
LogP0.92
Rot. Bonds4

About (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide

(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide (PubChem CID 173269865) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
PubChem CID173269865
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
SMILESC=CNC(=O)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C11H10N2O2/c1-2-12-11(15)9(8-14)7-10-5-3-4-6-13-10/h2-8H,1H2,(H,12,15)/b9-7+
InChIKeyNJCYLGDNUBIACH-VQHVLOKHSA-N
XLogP0.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
CID 173269721
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
formaldehyde;pyridine-2-carbaldehyde
CID 161262172
(E)-N-(3-oxo-1-pyridin-2-ylprop-1-en-2-yl)but-2-enamide
CID 173269903
(2Z)-2-(pyridin-2-ylmethylidene)hexanal
CID 88508885
2-ethenylpyridine;rhodium
CID 174919762
2-ethenylpyridine;hexahydroiodide
CID 70487032

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide (CID 173269865) is (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide is C=CNC(=O)/C(C=O)=C/c1ccccn1.
What is the InChIKey of (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide?
The InChIKey is NJCYLGDNUBIACH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-12-11(15)9(8-14)7-10-5-3-4-6-13-10/h2-8H,1H2,(H,12,15)/b9-7+.
What are the key properties of (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide?
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide has a molecular weight of 202.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide is sourced from PubChem (CID 173269865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).