methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate

C12H18N2O2 — CID 23596738

IUPACmethyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC(C2CCCN2C)=C1
InChIInChI=1S/C12H18N2O2/c1-13-7-4-6-11(13)10-5-3-8-14(9-10)12(15)16-2/h3,8-9,11H,4-7H2,1-2H3
InChIKeyFCFOZASZXYGWMT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds1

About methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate

methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate (PubChem CID 23596738) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate
PubChem CID23596738
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC(C2CCCN2C)=C1
InChIInChI=1S/C12H18N2O2/c1-13-7-4-6-11(13)10-5-3-8-14(9-10)12(15)16-2/h3,8-9,11H,4-7H2,1-2H3
InChIKeyFCFOZASZXYGWMT-UHFFFAOYSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate?
The IUPAC name of methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate (CID 23596738) is methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate?
The canonical SMILES for methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate is COC(=O)N1C=CCC(C2CCCN2C)=C1.
What is the InChIKey of methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate?
The InChIKey is FCFOZASZXYGWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-7-4-6-11(13)10-5-3-8-14(9-10)12(15)16-2/h3,8-9,11H,4-7H2,1-2H3.
What are the key properties of methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate?
methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrrolidin-2-yl)-4H-pyridine-1-carboxylate is sourced from PubChem (CID 23596738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).