3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

C10H12N2O — CID 58280410

IUPAC3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESCC(C)c1c[nH]c2[nH]ccc(=O)c12
InChIInChI=1S/C10H12N2O/c1-6(2)7-5-12-10-9(7)8(13)3-4-11-10/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyTXEFEXQJMZLYMB-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds1

About 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one

3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (PubChem CID 58280410) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
PubChem CID58280410
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one
SMILESCC(C)c1c[nH]c2[nH]ccc(=O)c12
InChIInChI=1S/C10H12N2O/c1-6(2)7-5-12-10-9(7)8(13)3-4-11-10/h3-6H,1-2H3,(H2,11,12,13)
InChIKeyTXEFEXQJMZLYMB-UHFFFAOYSA-N
XLogP1.98
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The IUPAC name of 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one (CID 58280410) is 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The canonical SMILES for 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is CC(C)c1c[nH]c2[nH]ccc(=O)c12.
What is the InChIKey of 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
The InChIKey is TXEFEXQJMZLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)7-5-12-10-9(7)8(13)3-4-11-10/h3-6H,1-2H3,(H2,11,12,13).
What are the key properties of 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one?
3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one has a molecular weight of 176.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,7-dihydropyrrolo[2,3-b]pyridin-4-one is sourced from PubChem (CID 58280410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).