dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate

C12H14N2O4 — CID 19958232

IUPACdimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)N(C)CC2
InChIInChI=1S/C12H14N2O4/c1-14-5-4-7-6-8(11(15)17-2)9(12(16)18-3)13-10(7)14/h6H,4-5H2,1-3H3
InChIKeySBVVQEWBEFNJCG-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.65
Rot. Bonds2

About dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate

dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate (PubChem CID 19958232) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate
PubChem CID19958232
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namedimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate
SMILESCOC(=O)c1cc2c(nc1C(=O)OC)N(C)CC2
InChIInChI=1S/C12H14N2O4/c1-14-5-4-7-6-8(11(15)17-2)9(12(16)18-3)13-10(7)14/h6H,4-5H2,1-3H3
InChIKeySBVVQEWBEFNJCG-UHFFFAOYSA-N
XLogP0.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate (CID 19958232) is dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate is COC(=O)c1cc2c(nc1C(=O)OC)N(C)CC2.
What is the InChIKey of dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate?
The InChIKey is SBVVQEWBEFNJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-14-5-4-7-6-8(11(15)17-2)9(12(16)18-3)13-10(7)14/h6H,4-5H2,1-3H3.
What are the key properties of dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate?
dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-2,3-dihydropyrrolo[2,3-b]pyridine-5,6-dicarboxylate is sourced from PubChem (CID 19958232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).