2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one

C9H10N2O — CID 58242702

IUPAC2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCC1=Nc2[nH]c(=O)cc(C)c2C1
InChIInChI=1S/C9H10N2O/c1-5-3-8(12)11-9-7(5)4-6(2)10-9/h3H,4H2,1-2H3,(H,11,12)
InChIKeyAPCINFYSBKUGCH-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.33
Rot. Bonds

About 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one

2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 58242702) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID58242702
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCC1=Nc2[nH]c(=O)cc(C)c2C1
InChIInChI=1S/C9H10N2O/c1-5-3-8(12)11-9-7(5)4-6(2)10-9/h3H,4H2,1-2H3,(H,11,12)
InChIKeyAPCINFYSBKUGCH-UHFFFAOYSA-N
XLogP1.33
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,7-Dimethylindol-1-ium-2-one
CID 142362216

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 58242702) is 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one is CC1=Nc2[nH]c(=O)cc(C)c2C1.
What is the InChIKey of 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is APCINFYSBKUGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-3-8(12)11-9-7(5)4-6(2)10-9/h3H,4H2,1-2H3,(H,11,12).
What are the key properties of 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one?
2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 162.19 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 58242702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).