methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate

C11H12N2O3 — CID 31824869

IUPACmethyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
SMILESC=CCNC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C11H12N2O3/c1-3-6-12-10(14)9-5-4-8(7-13-9)11(15)16-2/h3-5,7H,1,6H2,2H3,(H,12,14)
InChIKeyKFMKAFXVNCXNLN-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.78
Rot. Bonds4

About methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate

methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate (PubChem CID 31824869) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
PubChem CID31824869
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate
SMILESC=CCNC(=O)c1ccc(C(=O)OC)cn1
InChIInChI=1S/C11H12N2O3/c1-3-6-12-10(14)9-5-4-8(7-13-9)11(15)16-2/h3-5,7H,1,6H2,2H3,(H,12,14)
InChIKeyKFMKAFXVNCXNLN-UHFFFAOYSA-N
XLogP0.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate (CID 31824869) is methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate is C=CCNC(=O)c1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is KFMKAFXVNCXNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-3-6-12-10(14)9-5-4-8(7-13-9)11(15)16-2/h3-5,7H,1,6H2,2H3,(H,12,14).
What are the key properties of methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(prop-2-enylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 31824869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).