3-methylpyrrolo[2,3-b]pyridin-2-one

C8H6N2O — CID 140969854

IUPAC3-methylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1=c2cccnc2=NC1=O
InChIInChI=1S/C8H6N2O/c1-5-6-3-2-4-9-7(6)10-8(5)11/h2-4H,1H3
InChIKeyMXYYJBUGBFPHKH-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.59
Rot. Bonds

About 3-methylpyrrolo[2,3-b]pyridin-2-one

3-methylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 140969854) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 3-methylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-methylpyrrolo[2,3-b]pyridin-2-one
PubChem CID140969854
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name3-methylpyrrolo[2,3-b]pyridin-2-one
SMILESCC1=c2cccnc2=NC1=O
InChIInChI=1S/C8H6N2O/c1-5-6-3-2-4-9-7(6)10-8(5)11/h2-4H,1H3
InChIKeyMXYYJBUGBFPHKH-UHFFFAOYSA-N
XLogP-0.59
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Oxopyrido[2,3-b]azepine
CID 54484510
Naphthyridinedione
CID 66764726
1,8-Naphthyrid-7-one
CID 67130986
4-Oxopyrimido[4,5-b]indole
CID 67213355
5-Fluoropyrrolo[2,3-b]pyridin-2-one
CID 71772882
6-Methyl-5H-imidazo[4,5-b]pyridin-5-one
CID 53968217
Pyrrolo[2,3-b]pyridin-6-one
CID 18323804
3,4-Dimethylpyrrolo[2,3-b]pyridin-2-one
CID 19800206
Pyrrolo[2,3-b]pyridin-2-one
CID 21907087
3H-1,8-naphthyridin-2-one;hydrochloride
CID 68891345
3,5,7,9-Tetrazatricyclo[6.4.1.04,13]trideca-1(13),2,4,6,8,11-hexaen-10-one
CID 69477024
5-Chloropyrrolo[2,3-b]pyridin-2-one
CID 71772979

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-methylpyrrolo[2,3-b]pyridin-2-one (CID 140969854) is 3-methylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-methylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-methylpyrrolo[2,3-b]pyridin-2-one is CC1=c2cccnc2=NC1=O.
What is the InChIKey of 3-methylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MXYYJBUGBFPHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c1-5-6-3-2-4-9-7(6)10-8(5)11/h2-4H,1H3.
What are the key properties of 3-methylpyrrolo[2,3-b]pyridin-2-one?
3-methylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 146.15 g/mol, XLogP of -0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 140969854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).