methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

C10H12N2O2 — CID 82402887

IUPACmethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1C)CCN2
InChIInChI=1S/C10H12N2O2/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyGSPSKAHLDXCLGK-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.14
Rot. Bonds1

About methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (PubChem CID 82402887) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
PubChem CID82402887
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Namemethyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c1C)CCN2
InChIInChI=1S/C10H12N2O2/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyGSPSKAHLDXCLGK-UHFFFAOYSA-N
XLogP1.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine-2-carboxylate;hydrochloride
CID 170916820
methyl 5-hydroxy-4-methylpyridine-3-carboxylate
CID 130115769
methyl 7-hydroxy-2,3-dihydro-1H-indole-4-carboxylate
CID 84664570
methyl 4-chloro-5,6-dimethylpyridine-3-carboxylate
CID 154578056
methyl 4,6-dichloro-5-methylpyridine-3-carboxylate
CID 87230257
methyl 7-methoxy-1-oxo-3,4-dihydro-2H-isoquinoline-5-carboxylate
CID 66973477
methyl 4-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 68701783
methyl 4-iodo-6-methylpyridine-3-carboxylate
CID 166162841
methyl 4-methyl-1-oxo-2,3-dihydroindene-5-carboxylate
CID 20687962
methyl 2-fluoro-3-methylpyridine-4-carboxylate
CID 118989256
methyl 2,3-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 131283222
methyl 1,2-dihydropteridine-6-carboxylate
CID 141110396

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CID 82402887) is methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c1C)CCN2.
What is the InChIKey of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
The InChIKey is GSPSKAHLDXCLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-6-7-3-4-11-9(7)12-5-8(6)10(13)14-2/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate?
methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate has a molecular weight of 192.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 82402887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).