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

C11H19NO2 — CID 139457864

IUPACmethyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC[C@@H]1CC=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/t10-/m1/s1
InChIKeyMLQVDTVNDUWYFX-SNVBAGLBSA-N
MW197.28 g/mol
LogP1.59
Rot. Bonds3

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

methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 139457864) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID139457864
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC[C@@H]1CC=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/t10-/m1/s1
InChIKeyMLQVDTVNDUWYFX-SNVBAGLBSA-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 (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 139457864) is methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCC[C@@H]1CC=C(C(=O)OC)CN1C.
What is the InChIKey of methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is MLQVDTVNDUWYFX-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of methyl (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl (2R)-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 (2R)-1-methyl-2-propyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 139457864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).