methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate

C9H15NO2 — CID 58781994

IUPACmethyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(C)[C@H](C)C1
InChIInChI=1S/C9H15NO2/c1-7-6-8(9(11)12-3)4-5-10(7)2/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeyHEYZAJITRSSWDX-SSDOTTSWSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds1

About methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate

methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 58781994) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID58781994
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(C)[C@H](C)C1
InChIInChI=1S/C9H15NO2/c1-7-6-8(9(11)12-3)4-5-10(7)2/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeyHEYZAJITRSSWDX-SSDOTTSWSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 58781994) is methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(C)[C@H](C)C1.
What is the InChIKey of methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is HEYZAJITRSSWDX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-6-8(9(11)12-3)4-5-10(7)2/h4,7H,5-6H2,1-3H3/t7-/m1/s1.
What are the key properties of methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1,2-dimethyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 58781994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).