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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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).