dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate

C9H13NO4 — CID 71320318

IUPACdimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCOC(=O)C1=CCCCN1C(=O)OC
InChIInChI=1S/C9H13NO4/c1-13-8(11)7-5-3-4-6-10(7)9(12)14-2/h5H,3-4,6H2,1-2H3
InChIKeyFLQCWEXUSKBAAA-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.91
Rot. Bonds1

About dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate

dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate (PubChem CID 71320318) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate
PubChem CID71320318
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Namedimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate
SMILESCOC(=O)C1=CCCCN1C(=O)OC
InChIInChI=1S/C9H13NO4/c1-13-8(11)7-5-3-4-6-10(7)9(12)14-2/h5H,3-4,6H2,1-2H3
InChIKeyFLQCWEXUSKBAAA-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze dimethyl 3,4-dihydro-2H-pyridine-1,6-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 3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The IUPAC name of dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate (CID 71320318) is dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate.
What is the SMILES notation for dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The canonical SMILES for dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate is COC(=O)C1=CCCCN1C(=O)OC.
What is the InChIKey of dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
The InChIKey is FLQCWEXUSKBAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-13-8(11)7-5-3-4-6-10(7)9(12)14-2/h5H,3-4,6H2,1-2H3.
What are the key properties of dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate?
dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3,4-dihydro-2H-pyridine-1,6-dicarboxylate is sourced from PubChem (CID 71320318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).