1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one

C9H10N2O — CID 58398941

IUPAC1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc2c(n1)CC(=O)N2C
InChIInChI=1S/C9H10N2O/c1-6-3-4-8-7(10-6)5-9(12)11(8)2/h3-4H,5H2,1-2H3
InChIKeyWHMWRQIIJDLIDJ-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.91
Rot. Bonds

About 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one

1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 58398941) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID58398941
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one
SMILESCc1ccc2c(n1)CC(=O)N2C
InChIInChI=1S/C9H10N2O/c1-6-3-4-8-7(10-6)5-9(12)11(8)2/h3-4H,5H2,1-2H3
InChIKeyWHMWRQIIJDLIDJ-UHFFFAOYSA-N
XLogP0.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one (CID 58398941) is 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one is Cc1ccc2c(n1)CC(=O)N2C.
What is the InChIKey of 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is WHMWRQIIJDLIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-3-4-8-7(10-6)5-9(12)11(8)2/h3-4H,5H2,1-2H3.
What are the key properties of 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one?
1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 162.19 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 58398941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).