methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

C10H17NO2 — CID 105440679

IUPACmethyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC1=C(C(=O)OC)CN(C)CC1
InChIInChI=1S/C10H17NO2/c1-4-8-5-6-11(2)7-9(8)10(12)13-3/h4-7H2,1-3H3
InChIKeyWAFXVJICOXLKLX-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds2

About methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 105440679) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID105440679
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCCC1=C(C(=O)OC)CN(C)CC1
InChIInChI=1S/C10H17NO2/c1-4-8-5-6-11(2)7-9(8)10(12)13-3/h4-7H2,1-3H3
InChIKeyWAFXVJICOXLKLX-UHFFFAOYSA-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 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 105440679) is methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CCC1=C(C(=O)OC)CN(C)CC1.
What is the InChIKey of methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WAFXVJICOXLKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-8-5-6-11(2)7-9(8)10(12)13-3/h4-7H2,1-3H3.
What are the key properties of methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-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 4-ethyl-1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 105440679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).