methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate

C9H11NO2 — CID 129046104

IUPACmethyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate
SMILESC=CC1=NCCC(C(=O)OC)=C1
InChIInChI=1S/C9H11NO2/c1-3-8-6-7(4-5-10-8)9(11)12-2/h3,6H,1,4-5H2,2H3
InChIKeyMTYDKXYMNKQEMC-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.12
Rot. Bonds2

About methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate

methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate (PubChem CID 129046104) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate
PubChem CID129046104
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namemethyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate
SMILESC=CC1=NCCC(C(=O)OC)=C1
InChIInChI=1S/C9H11NO2/c1-3-8-6-7(4-5-10-8)9(11)12-2/h3,6H,1,4-5H2,2H3
InChIKeyMTYDKXYMNKQEMC-UHFFFAOYSA-N
XLogP1.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate?
The IUPAC name of methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate (CID 129046104) is methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate.
What is the SMILES notation for methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate?
The canonical SMILES for methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate is C=CC1=NCCC(C(=O)OC)=C1.
What is the InChIKey of methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate?
The InChIKey is MTYDKXYMNKQEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-3-8-6-7(4-5-10-8)9(11)12-2/h3,6H,1,4-5H2,2H3.
What are the key properties of methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate?
methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate has a molecular weight of 165.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethenyl-2,3-dihydropyridine-4-carboxylate is sourced from PubChem (CID 129046104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).