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

C7H10NO2- — CID 58318539

IUPAC6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate
SMILESCC1=NCCC(C(=O)[O-])C1
InChIInChI=1S/C7H11NO2/c1-5-4-6(7(9)10)2-3-8-5/h6H,2-4H2,1H3,(H,9,10)/p-1
InChIKeyHTBHAQZLYRQNPX-UHFFFAOYSA-M
MW140.16 g/mol
LogP-0.39
Rot. Bonds1

About 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate

6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate (PubChem CID 58318539) has the molecular formula C7H10NO2- and a molecular weight of 140.16 g/mol. Its IUPAC name is 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate.

Molecular Properties

Compound Name6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate
PubChem CID58318539
Molecular FormulaC7H10NO2-
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate
SMILESCC1=NCCC(C(=O)[O-])C1
InChIInChI=1S/C7H11NO2/c1-5-4-6(7(9)10)2-3-8-5/h6H,2-4H2,1H3,(H,9,10)/p-1
InChIKeyHTBHAQZLYRQNPX-UHFFFAOYSA-M
XLogP-0.39
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate?
The IUPAC name of 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate (CID 58318539) is 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate.
What is the SMILES notation for 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate?
The canonical SMILES for 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate is CC1=NCCC(C(=O)[O-])C1.
What is the InChIKey of 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate?
The InChIKey is HTBHAQZLYRQNPX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO2/c1-5-4-6(7(9)10)2-3-8-5/h6H,2-4H2,1H3,(H,9,10)/p-1.
What are the key properties of 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate?
6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate has a molecular weight of 140.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3,4,5-tetrahydropyridine-4-carboxylate is sourced from PubChem (CID 58318539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).