2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

C9H10N2O — CID 105431857

IUPAC2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1[nH]c2[nH]c(=O)ccc2c1C
InChIInChI=1S/C9H10N2O/c1-5-6(2)10-9-7(5)3-4-8(12)11-9/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyBLPNPBAMCPAEAT-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.47
Rot. Bonds

About 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (PubChem CID 105431857) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
PubChem CID105431857
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one
SMILESCc1[nH]c2[nH]c(=O)ccc2c1C
InChIInChI=1S/C9H10N2O/c1-5-6(2)10-9-7(5)3-4-8(12)11-9/h3-4H,1-2H3,(H2,10,11,12)
InChIKeyBLPNPBAMCPAEAT-UHFFFAOYSA-N
XLogP1.47
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The IUPAC name of 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one (CID 105431857) is 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one.
What is the SMILES notation for 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The canonical SMILES for 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is Cc1[nH]c2[nH]c(=O)ccc2c1C.
What is the InChIKey of 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
The InChIKey is BLPNPBAMCPAEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-5-6(2)10-9-7(5)3-4-8(12)11-9/h3-4H,1-2H3,(H2,10,11,12).
What are the key properties of 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one?
2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one has a molecular weight of 162.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,7-dihydropyrrolo[2,3-b]pyridin-6-one is sourced from PubChem (CID 105431857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).