2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

C10H12N2O — CID 89034163

IUPAC2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESCC(C)c1cc2c[nH]c(=O)cc2[nH]1
InChIInChI=1S/C10H12N2O/c1-6(2)8-3-7-5-11-10(13)4-9(7)12-8/h3-6,12H,1-2H3,(H,11,13)
InChIKeyGUGQMKQDTRUNNZ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.98
Rot. Bonds1

About 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one

2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (PubChem CID 89034163) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
PubChem CID89034163
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one
SMILESCC(C)c1cc2c[nH]c(=O)cc2[nH]1
InChIInChI=1S/C10H12N2O/c1-6(2)8-3-7-5-11-10(13)4-9(7)12-8/h3-6,12H,1-2H3,(H,11,13)
InChIKeyGUGQMKQDTRUNNZ-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 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The IUPAC name of 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one (CID 89034163) is 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one.
What is the SMILES notation for 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The canonical SMILES for 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is CC(C)c1cc2c[nH]c(=O)cc2[nH]1.
What is the InChIKey of 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
The InChIKey is GUGQMKQDTRUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-6(2)8-3-7-5-11-10(13)4-9(7)12-8/h3-6,12H,1-2H3,(H,11,13).
What are the key properties of 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one?
2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-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 2-propan-2-yl-1,5-dihydropyrrolo[3,2-c]pyridin-6-one is sourced from PubChem (CID 89034163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).