propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate

C18H19NO3 — CID 70093797

IUPACpropan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate
SMILESCC(C)OC(=O)Cc1cc(/C=C/c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(21)12-16-10-15(11-17(20)19-16)9-8-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyMSPQSXVTXPOZNQ-CMDGGOBGSA-N
MW297.35 g/mol
LogP3.04
Rot. Bonds5

About propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate

propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate (PubChem CID 70093797) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate
PubChem CID70093797
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namepropan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate
SMILESCC(C)OC(=O)Cc1cc(/C=C/c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H19NO3/c1-13(2)22-18(21)12-16-10-15(11-17(20)19-16)9-8-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20)/b9-8+
InChIKeyMSPQSXVTXPOZNQ-CMDGGOBGSA-N
XLogP3.04
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
CID 10751009
propan-2-yl 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 35522145
propan-2-yl 3-[(E)-3-phenylprop-2-enoyl]oxybutanoate
CID 69304804
oxophosphanium;propan-2-yl 2-phenylacetate
CID 159678340
propan-2-yl 2-[methyl(diphenyl)silyl]acetate
CID 13197434
propan-2-yl 2-(2-sulfanylphenyl)acetate
CID 67682935
acetic acid;stilbene
CID 172803728
propan-2-yl 2-[2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-3-yl]acetate bromide
CID 14069439
2-[2,3-bis(carboxymethyl)-5-[(E)-2-phenylethenyl]phenyl]acetic acid
CID 122584891
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
dimethyl-[(E)-2-methylidene-4-phenylbut-3-enyl]-propan-2-yloxysilane
CID 10515523

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate?
The IUPAC name of propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate (CID 70093797) is propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate?
The canonical SMILES for propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate is CC(C)OC(=O)Cc1cc(/C=C/c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate?
The InChIKey is MSPQSXVTXPOZNQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13(2)22-18(21)12-16-10-15(11-17(20)19-16)9-8-14-6-4-3-5-7-14/h3-11,13H,12H2,1-2H3,(H,19,20)/b9-8+.
What are the key properties of propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate?
propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate has a molecular weight of 297.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 70093797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).