methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

C9H13NO2 — CID 53261133

IUPACmethyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCN(C(=O)OC)C1
InChIInChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h3,5H,1,4,6-7H2,2H3
InChIKeyUQXAFIIHFPLRTI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.57
Rot. Bonds1

About methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate

methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 53261133) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID53261133
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Namemethyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESC=CC1=CCCN(C(=O)OC)C1
InChIInChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h3,5H,1,4,6-7H2,2H3
InChIKeyUQXAFIIHFPLRTI-UHFFFAOYSA-N
XLogP1.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate (CID 53261133) is methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is C=CC1=CCCN(C(=O)OC)C1.
What is the InChIKey of methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is UQXAFIIHFPLRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-8-5-4-6-10(7-8)9(11)12-2/h3,5H,1,4,6-7H2,2H3.
What are the key properties of methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate?
methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 167.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethenyl-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 53261133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).