5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one

C12H13N3O2 — CID 66932669

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one
SMILESO=C1COCC(Cc2c[nH]c3ncccc23)N1
InChIInChI=1S/C12H13N3O2/c16-11-7-17-6-9(15-11)4-8-5-14-12-10(8)2-1-3-13-12/h1-3,5,9H,4,6-7H2,(H,13,14)(H,15,16)
InChIKeyZTTKAXWITUJGTP-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.62
Rot. Bonds2

About 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one

5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one (PubChem CID 66932669) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one
PubChem CID66932669
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one
SMILESO=C1COCC(Cc2c[nH]c3ncccc23)N1
InChIInChI=1S/C12H13N3O2/c16-11-7-17-6-9(15-11)4-8-5-14-12-10(8)2-1-3-13-12/h1-3,5,9H,4,6-7H2,(H,13,14)(H,15,16)
InChIKeyZTTKAXWITUJGTP-UHFFFAOYSA-N
XLogP0.62
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58172476
3-propan-2-yl-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-sulfanylidene-1,3-oxazolidin-4-one
CID 175760654
N-cyclohexyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 53014081
1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709524
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)piperidin-2-one
CID 66415273
[(2R,3S)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl] acetate
CID 58525455
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 154843804
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 106252551
5-[(3S)-oxolan-3-yl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 154779107

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one (CID 66932669) is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one is O=C1COCC(Cc2c[nH]c3ncccc23)N1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one?
The InChIKey is ZTTKAXWITUJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-11-7-17-6-9(15-11)4-8-5-14-12-10(8)2-1-3-13-12/h1-3,5,9H,4,6-7H2,(H,13,14)(H,15,16).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one?
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one has a molecular weight of 231.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholin-3-one is sourced from PubChem (CID 66932669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).