methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate

C12H14N2O3 — CID 169465889

IUPACmethyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCNC(C)=O)n1
InChIInChI=1S/C12H14N2O3/c1-9(15)13-8-4-6-10-5-3-7-11(14-10)12(16)17-2/h3-7H,8H2,1-2H3,(H,13,15)
InChIKeyZBPNHRBUFWQCFB-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.02
Rot. Bonds4

About methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate

methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate (PubChem CID 169465889) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate
PubChem CID169465889
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C=CCNC(C)=O)n1
InChIInChI=1S/C12H14N2O3/c1-9(15)13-8-4-6-10-5-3-7-11(14-10)12(16)17-2/h3-7H,8H2,1-2H3,(H,13,15)
InChIKeyZBPNHRBUFWQCFB-UHFFFAOYSA-N
XLogP1.02
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate (CID 169465889) is methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate is COC(=O)c1cccc(C=CCNC(C)=O)n1.
What is the InChIKey of methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate?
The InChIKey is ZBPNHRBUFWQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-9(15)13-8-4-6-10-5-3-7-11(14-10)12(16)17-2/h3-7H,8H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate?
methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-acetamidoprop-1-enyl)pyridine-2-carboxylate is sourced from PubChem (CID 169465889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).