1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone

C10H12N2O — CID 142605868

IUPAC1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESCC(=O)N1Cc2cc(C)cnc2C1
InChIInChI=1S/C10H12N2O/c1-7-3-9-5-12(8(2)13)6-10(9)11-4-7/h3-4H,5-6H2,1-2H3
InChIKeyUTHZANQXEHNZMX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.25
Rot. Bonds

About 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone

1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (PubChem CID 142605868) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
PubChem CID142605868
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
SMILESCC(=O)N1Cc2cc(C)cnc2C1
InChIInChI=1S/C10H12N2O/c1-7-3-9-5-12(8(2)13)6-10(9)11-4-7/h3-4H,5-6H2,1-2H3
InChIKeyUTHZANQXEHNZMX-UHFFFAOYSA-N
XLogP1.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 69424274
1-(3-chloro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 126750368
3,7-dimethyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59437026
5,7-dihydropyrrolo[3,4-b]pyridin-6-yl-(4-methylthiophen-2-yl)methanone
CID 121190850
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(2,5-dimethylphenyl)methanone
CID 90585336
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 3-nitro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 25260226
ethane;3-methyl-5,6,7,8-tetrahydroquinoline
CID 143839109
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine
CID 89495036
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
1-(2-methyl-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-5-yl)ethanone
CID 123694071
6-cyclopentyl-3-methyl-7,8-dihydro-5H-1,6-naphthyridine;ethane
CID 143719023

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone (CID 142605868) is 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is CC(=O)N1Cc2cc(C)cnc2C1.
What is the InChIKey of 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
The InChIKey is UTHZANQXEHNZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-3-9-5-12(8(2)13)6-10(9)11-4-7/h3-4H,5-6H2,1-2H3.
What are the key properties of 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone?
1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone has a molecular weight of 176.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone is sourced from PubChem (CID 142605868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).