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

C11H19NO2 — CID 139457851

IUPACmethyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCC1CC=C(C(=O)OC)CN1C
InChIInChI=1S/C11H19NO2/c1-4-5-10-7-6-9(8-12(10)2)11(13)14-3/h6,10H,4-5,7-8H2,1-3H3
InChIKeyMLQVDTVNDUWYFX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds3

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

methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 139457851) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID139457851
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCCC1CC=C(C(=O)OC)CN1C
InChIInChI=1S/C11H19NO2/c1-4-5-10-7-6-9(8-12(10)2)11(13)14-3/h6,10H,4-5,7-8H2,1-3H3
InChIKeyMLQVDTVNDUWYFX-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 139457851) is methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCCC1CC=C(C(=O)OC)CN1C.
What is the InChIKey of methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is MLQVDTVNDUWYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-10-7-6-9(8-12(10)2)11(13)14-3/h6,10H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 139457851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).