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

C10H17NO2 — CID 58781901

IUPACmethyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC)=CCN1C
InChIInChI=1S/C10H17NO2/c1-4-9-7-8(10(12)13-3)5-6-11(9)2/h5,9H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyOZKGXRNMRXNIDP-SECBINFHSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds2

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

methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 58781901) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID58781901
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCC[C@@H]1CC(C(=O)OC)=CCN1C
InChIInChI=1S/C10H17NO2/c1-4-9-7-8(10(12)13-3)5-6-11(9)2/h5,9H,4,6-7H2,1-3H3/t9-/m1/s1
InChIKeyOZKGXRNMRXNIDP-SECBINFHSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[(2S)-2-(methoxymethyl)-1-methyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 58782033
1-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-2-chloroethanone;4-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridin-4-yl]-3H-1,3-thiazole-2-thione;methyl (2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 159738820
methyl 1-benzyl-2-cyano-3,6-dihydro-2H-pyridine-4-carboxylate
CID 131859938
methyl 2-hydroxy-2,3-dihydrothiophene-4-carboxylate
CID 158414718
methyl 5-propan-2-ylcyclohexa-1,3-diene-1-carboxylate
CID 123847160
methyl (1S,5R,6S)-5-pentan-3-yloxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 66524789
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 3087494
methyl (1E,4E)-5-bromo-7-methylcycloocta-1,4-diene-1-carboxylate
CID 139430776
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021
(1R,3R)-3-ethyl-5-methoxycarbonylcyclohept-4-ene-1-carboxylic acid
CID 10537228
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343
methyl 2-oxo-1-(2-oxoethyl)-3H-pyrrole-4-carboxylate
CID 112708764

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate (CID 58781901) is methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is CC[C@@H]1CC(C(=O)OC)=CCN1C.
What is the InChIKey of methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is OZKGXRNMRXNIDP-SECBINFHSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-9-7-8(10(12)13-3)5-6-11(9)2/h5,9H,4,6-7H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-ethyl-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 58781901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).