dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate

C12H13NO4 — CID 70375072

IUPACdimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)CCC2
InChIInChI=1S/C12H13NO4/c1-16-11(14)8-6-7-4-3-5-9(7)13-10(8)12(15)17-2/h6H,3-5H2,1-2H3
InChIKeySLBHRTOYATZDQJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.14
Rot. Bonds2

About dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate

dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate (PubChem CID 70375072) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate
PubChem CID70375072
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namedimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)CCC2
InChIInChI=1S/C12H13NO4/c1-16-11(14)8-6-7-4-3-5-9(7)13-10(8)12(15)17-2/h6H,3-5H2,1-2H3
InChIKeySLBHRTOYATZDQJ-UHFFFAOYSA-N
XLogP1.14
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate (CID 70375072) is dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate is COC(=O)c1cc2c(nc1C(=O)OC)CCC2.
What is the InChIKey of dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate?
The InChIKey is SLBHRTOYATZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-16-11(14)8-6-7-4-3-5-9(7)13-10(8)12(15)17-2/h6H,3-5H2,1-2H3.
What are the key properties of dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate?
dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 70375072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).