dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

C9H13NO4 — CID 11694097

IUPACdimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=CCCN(C(=O)OC)C1
InChIInChI=1S/C9H13NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h4H,3,5-6H2,1-2H3
InChIKeyUQBXPWGIHMOGSU-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.56
Rot. Bonds1

About dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate

dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate (PubChem CID 11694097) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
PubChem CID11694097
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namedimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate
SMILESCOC(=O)C1=CCCN(C(=O)OC)C1
InChIInChI=1S/C9H13NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h4H,3,5-6H2,1-2H3
InChIKeyUQBXPWGIHMOGSU-UHFFFAOYSA-N
XLogP0.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate 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 dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The IUPAC name of dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate (CID 11694097) is dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate.
What is the SMILES notation for dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The canonical SMILES for dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate is COC(=O)C1=CCCN(C(=O)OC)C1.
What is the InChIKey of dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
The InChIKey is UQBXPWGIHMOGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-13-8(11)7-4-3-5-10(6-7)9(12)14-2/h4H,3,5-6H2,1-2H3.
What are the key properties of dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate?
dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,6-dihydro-2H-pyridine-1,5-dicarboxylate is sourced from PubChem (CID 11694097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).