2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

C10H12N2O2 — CID 155502159

IUPAC2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)CO)C2
InChIInChI=1S/C10H12N2O2/c1-7-2-8-4-12(10(14)6-13)5-9(8)3-11-7/h2-3,13H,4-6H2,1H3
InChIKeyUIHCBHBOJNYOJT-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.22
Rot. Bonds1

About 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone

2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (PubChem CID 155502159) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
PubChem CID155502159
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone
SMILESCc1cc2c(cn1)CN(C(=O)CO)C2
InChIInChI=1S/C10H12N2O2/c1-7-2-8-4-12(10(14)6-13)5-9(8)3-11-7/h2-3,13H,4-6H2,1H3
InChIKeyUIHCBHBOJNYOJT-UHFFFAOYSA-N
XLogP0.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1H-pyrrolo[3,4-c]pyridine-2(3H)-carboxylate
CID 18953633
2-hydroxy-N-(rel-(3R,4S)-4-isopropyl-1-{[6-(trifluoromethyl)-3-pyridinyl]methyl}-3-pyrrolidinyl)acetamide hydrochloride
CID 72931677
1-(2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 45086257
5,7-Dihydropyrrolo[3,4-b]pyridine-6-carbaldehyde
CID 88261656
2-Oxyacetylindole
CID 129778503
1-(2,3-Dihydropyrrolo[3,2-c]pyridin-1-yl)-2,2-dimethylpropan-1-one
CID 84600344
(5S)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-propan-2-ylpiperidin-2-one
CID 125163334
(5S)-1-(2-methoxyethyl)-5-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)piperidin-2-one
CID 125177975
3-(2-(5-Ethyl-2-pyridyl)ethyl)-2,4-oxazolidinedione
CID 3029660
4-(Trifluoromethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carbaldehyde
CID 123827838
1-[3-(Trifluoromethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone
CID 126758741
2,2,2-trifluoro-1-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]ethanone
CID 135209249

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The IUPAC name of 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone (CID 155502159) is 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The canonical SMILES for 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is Cc1cc2c(cn1)CN(C(=O)CO)C2.
What is the InChIKey of 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
The InChIKey is UIHCBHBOJNYOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-7-2-8-4-12(10(14)6-13)5-9(8)3-11-7/h2-3,13H,4-6H2,1H3.
What are the key properties of 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone?
2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone has a molecular weight of 192.22 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 155502159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).