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

C7H10NO2- — CID 19023723

IUPAC1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCN1CCC=C(C(=O)[O-])C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)/p-1
InChIKeyDNJFTXKSFAMXQF-UHFFFAOYSA-M
MW140.16 g/mol
LogP-1.00
Rot. Bonds1

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

1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 19023723) has the molecular formula C7H10NO2- and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID19023723
Molecular FormulaC7H10NO2-
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCN1CCC=C(C(=O)[O-])C1
InChIInChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)/p-1
InChIKeyDNJFTXKSFAMXQF-UHFFFAOYSA-M
XLogP-1.00
TPSA43.37 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 ≤ 5-1.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 19023723) is 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is CN1CCC=C(C(=O)[O-])C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is DNJFTXKSFAMXQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H11NO2/c1-8-4-2-3-6(5-8)7(9)10/h3H,2,4-5H2,1H3,(H,9,10)/p-1.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate?
1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 140.16 g/mol, XLogP of -1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 19023723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).