ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

C11H14N2O2 — CID 163462640

IUPACethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(C)C=CNC2N1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8-7(2)4-5-12-10(8)13-9/h4-6,10,12-13H,3H2,1-2H3
InChIKeyBPXDIDLDWSPPNF-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.80
Rot. Bonds2

About ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (PubChem CID 163462640) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
PubChem CID163462640
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Nameethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
SMILESCCOC(=O)C1=CC2=C(C)C=CNC2N1
InChIInChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8-7(2)4-5-12-10(8)13-9/h4-6,10,12-13H,3H2,1-2H3
InChIKeyBPXDIDLDWSPPNF-UHFFFAOYSA-N
XLogP0.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 142832625
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CID 102027126
ethyl 6-(bromomethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2778109
ethyl 5-(hydroxymethyl)-2,5-dihydro-1,2-oxazole-3-carboxylate
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ethyl 4-methyl-1,2-dihydropyridine-2-carboxylate
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ethyl 5-oxopyrazole-3-carboxylate
CID 19858287
ethyl 4-(3,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 10754787
6-ethoxycarbonyl-2-methyl-1H-pyridine-2-carboxylic acid
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ethyl 1,3a,6,6a-tetrahydrocyclopenta[b]pyrrole-2-carboxylate
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ethyl 4-hydroxy-1-oxo-8aH-isoquinoline-3-carboxylate
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ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
ethyl (8aR)-5-pyrrolidin-1-yl-1,8a-dihydroimidazo[1,2-a]pyridine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The IUPAC name of ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate (CID 163462640) is ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The canonical SMILES for ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is CCOC(=O)C1=CC2=C(C)C=CNC2N1.
What is the InChIKey of ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
The InChIKey is BPXDIDLDWSPPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-15-11(14)9-6-8-7(2)4-5-12-10(8)13-9/h4-6,10,12-13H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate?
ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate has a molecular weight of 206.24 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 163462640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).