2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C13H17N3 — CID 24758292

IUPAC2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1Cc1cc2cccnc2[nH]1
InChIInChI=1S/C13H17N3/c1-16-7-3-5-12(16)9-11-8-10-4-2-6-14-13(10)15-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyIUWFNLKNENWKCN-LBPRGKRZSA-N
MW215.30 g/mol
LogP2.20
Rot. Bonds2

About 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 24758292) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID24758292
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC[C@H]1Cc1cc2cccnc2[nH]1
InChIInChI=1S/C13H17N3/c1-16-7-3-5-12(16)9-11-8-10-4-2-6-14-13(10)15-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,14,15)/t12-/m0/s1
InChIKeyIUWFNLKNENWKCN-LBPRGKRZSA-N
XLogP2.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-Pyrrolo(2,3-b)pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 24758292) is 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is CN1CCC[C@H]1Cc1cc2cccnc2[nH]1.
What is the InChIKey of 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is IUWFNLKNENWKCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3/c1-16-7-3-5-12(16)9-11-8-10-4-2-6-14-13(10)15-11/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,14,15)/t12-/m0/s1.
What are the key properties of 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 215.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 24758292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).