methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate

C9H15NO2 — CID 56978658

IUPACmethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCCC1CC=NC(C(=O)OC)C1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-10-8(6-7)9(11)12-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNWFVRXSYBGSBOL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.42
Rot. Bonds2

About methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate

methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate (PubChem CID 56978658) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
PubChem CID56978658
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
SMILESCCC1CC=NC(C(=O)OC)C1
InChIInChI=1S/C9H15NO2/c1-3-7-4-5-10-8(6-7)9(11)12-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyNWFVRXSYBGSBOL-UHFFFAOYSA-N
XLogP1.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-Methyl 3,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 45115905
Methyl 2,3,4,5-tetrahydropyridine-2-carboxylate
CID 23118901
Tert-butyl 2,3,4,5-tetrahydropyridine-2-carboxylate
CID 56987398
Ethyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate
CID 57254010
methyl (2S,3S)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 58676550
methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 58676556
Methyl 2-(propylideneamino)hexanoate
CID 59107334
methyl (2S)-2-methyl-2,3,4,5-tetrahydropyridine-5-carboxylate
CID 89642579
methyl (2S,4S)-4,5-dimethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 122451420
ethyl 4-ethyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 123263588
Methyl 2-azabicyclo[3.1.0]hex-1-ene-3-carboxylate
CID 123439491
Ethyl 2,3,4,5-tetrahydropyridine-2-carboxylate
CID 123500910

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The IUPAC name of methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate (CID 56978658) is methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The canonical SMILES for methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate is CCC1CC=NC(C(=O)OC)C1.
What is the InChIKey of methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
The InChIKey is NWFVRXSYBGSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-4-5-10-8(6-7)9(11)12-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate?
methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate has a molecular weight of 169.22 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethyl-2,3,4,5-tetrahydropyridine-2-carboxylate is sourced from PubChem (CID 56978658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).