methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate

C10H9NO3 — CID 173269721

IUPACmethyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
SMILESCOC(=O)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C10H9NO3/c1-14-10(13)8(7-12)6-9-4-2-3-5-11-9/h2-7H,1H3/b8-6+
InChIKeyYISPOSVZEJAKQG-SOFGYWHQSA-N
MW191.19 g/mol
LogP0.84
Rot. Bonds3

About methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate

methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate (PubChem CID 173269721) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
PubChem CID173269721
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate
SMILESCOC(=O)/C(C=O)=C/c1ccccn1
InChIInChI=1S/C10H9NO3/c1-14-10(13)8(7-12)6-9-4-2-3-5-11-9/h2-7H,1H3/b8-6+
InChIKeyYISPOSVZEJAKQG-SOFGYWHQSA-N
XLogP0.84
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

2-formyl-N-methoxy-N-methyl-3-pyridin-2-ylprop-2-enamide
CID 54365611
(E)-N-ethenyl-2-formyl-3-pyridin-2-ylprop-2-enamide
CID 173269865
(E)-2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 173270130
2-formyl-N,3-dipyridin-2-ylprop-2-enamide
CID 54041980
2-(methylamino)-3-pyridin-2-ylprop-2-enal
CID 173269525
methyl 2-(4-fluorobenzoyl)-3-pyridin-2-ylprop-2-enoate
CID 54252574
methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridin-2-ylprop-2-enoate
CID 131748881
(Z)-2-chloro-3-pyridin-2-ylprop-2-enal
CID 12946087
(E)-2-(dimethylamino)-3-pyridin-2-ylprop-2-enal
CID 173269986
(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
ethyl (E)-2-amino-3-pyridin-2-ylprop-2-enoate
CID 134275499

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate?
The IUPAC name of methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate (CID 173269721) is methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate is COC(=O)/C(C=O)=C/c1ccccn1.
What is the InChIKey of methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate?
The InChIKey is YISPOSVZEJAKQG-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H9NO3/c1-14-10(13)8(7-12)6-9-4-2-3-5-11-9/h2-7H,1H3/b8-6+.
What are the key properties of methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate?
methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate has a molecular weight of 191.19 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-formyl-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 173269721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).