propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate

C11H13NO2 — CID 11148208

IUPACpropan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccccn1
InChIInChI=1S/C11H13NO2/c1-9(2)14-11(13)7-6-10-5-3-4-8-12-10/h3-9H,1-2H3/b7-6+
InChIKeyFUBUNXZDOMSLHX-VOTSOKGWSA-N
MW191.23 g/mol
LogP2.05
Rot. Bonds3

About propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate

propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate (PubChem CID 11148208) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
PubChem CID11148208
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namepropan-2-yl (E)-3-pyridin-2-ylprop-2-enoate
SMILESCC(C)OC(=O)/C=C/c1ccccn1
InChIInChI=1S/C11H13NO2/c1-9(2)14-11(13)7-6-10-5-3-4-8-12-10/h3-9H,1-2H3/b7-6+
InChIKeyFUBUNXZDOMSLHX-VOTSOKGWSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl 3-(2-ethoxyphenyl)prop-2-enoate
CID 77493840
ethane;(E)-1-phenyl-3-pyridin-2-ylprop-2-en-1-one
CID 91594762
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-pyridin-2-ylprop-2-enoate
CID 55739686
propan-2-yl (E)-3-(2-propoxyphenyl)prop-2-enoate
CID 102534792
(E)-N-[2-[methyl(propan-2-yl)amino]ethyl]-3-pyridin-2-ylprop-2-enamide
CID 75463833
(1E,4E,6E)-1,7-dipyridin-2-ylhepta-1,4,6-trien-3-one
CID 127039581
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
N-(dicyclopropylmethyl)-3-pyridin-2-ylprop-2-enamide
CID 71890538
propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677
propan-2-yl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 67541560
(E)-3-pyridin-2-yl-1-[6-[(E)-3-pyridin-2-ylprop-2-enoyl]-2-pyridinyl]prop-2-en-1-one
CID 6008977
tert-butyl 5-[(E)-3-pyridin-2-ylprop-2-enoyl]oxypentanoate
CID 163938579

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate?
The IUPAC name of propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate (CID 11148208) is propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate.
What is the SMILES notation for propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate?
The canonical SMILES for propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate is CC(C)OC(=O)/C=C/c1ccccn1.
What is the InChIKey of propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate?
The InChIKey is FUBUNXZDOMSLHX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13NO2/c1-9(2)14-11(13)7-6-10-5-3-4-8-12-10/h3-9H,1-2H3/b7-6+.
What are the key properties of propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate?
propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-3-pyridin-2-ylprop-2-enoate is sourced from PubChem (CID 11148208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).