3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine

C13H16N2O — CID 11843028

IUPAC3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(CC2CCCO2)c2ncccc12
InChIInChI=1S/C13H16N2O/c1-10-8-15(9-11-4-3-7-16-11)13-12(10)5-2-6-14-13/h2,5-6,8,11H,3-4,7,9H2,1H3
InChIKeyCEWPIMOYNNZPFZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.52
Rot. Bonds2

About 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine

3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 11843028) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID11843028
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESCc1cn(CC2CCCO2)c2ncccc12
InChIInChI=1S/C13H16N2O/c1-10-8-15(9-11-4-3-7-16-11)13-12(10)5-2-6-14-13/h2,5-6,8,11H,3-4,7,9H2,1H3
InChIKeyCEWPIMOYNNZPFZ-UHFFFAOYSA-N
XLogP2.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66415489
1-[1-[2-(oxolan-2-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-2-amine
CID 66412633
2-[1-(oxolan-2-ylmethyl)imidazol-2-yl]pyridine
CID 155916058
2-[1-[3-(oxolan-2-yl)propyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66411455
[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 79182797
2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)-N,N-bis[2-(3-methylpyrrolo[2,3-b]pyridin-1-yl)ethyl]ethanamine
CID 11843178
1-[(4-methylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 79182622
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95095586
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
N-(2-methylphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 51427048
2-chloro-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 87111262

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine (CID 11843028) is 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine is Cc1cn(CC2CCCO2)c2ncccc12.
What is the InChIKey of 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is CEWPIMOYNNZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-8-15(9-11-4-3-7-16-11)13-12(10)5-2-6-14-13/h2,5-6,8,11H,3-4,7,9H2,1H3.
What are the key properties of 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine?
3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 216.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxolan-2-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11843028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).