1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone

C10H14N2O — CID 82410032

IUPAC1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCN(C)C2
InChIInChI=1S/C10H14N2O/c1-7(13)10-5-8-6-12(2)4-3-9(8)11-10/h5,11H,3-4,6H2,1-2H3
InChIKeyLARHZHBDLCGBRV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.21
Rot. Bonds1

About 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone

1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone (PubChem CID 82410032) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
PubChem CID82410032
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c([nH]1)CCN(C)C2
InChIInChI=1S/C10H14N2O/c1-7(13)10-5-8-6-12(2)4-3-9(8)11-10/h5,11H,3-4,6H2,1-2H3
InChIKeyLARHZHBDLCGBRV-UHFFFAOYSA-N
XLogP1.21
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-phenyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 70937776
2-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)acetic acid
CID 82401146
1-(1,4,5,6-tetrahydrocyclopenta[b]pyrrol-2-yl)ethanone
CID 82417563
1-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-5-ium-2-yl)ethanone
CID 163689340
2-cyclohexyl-5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 96609619
5-(2,2,2-trifluoroacetyl)-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 166000150
6-methyl-3-(propylaminomethyl)-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522145
(5,5-difluoro-1,4,6,7-tetrahydroindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 50913257
5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6,7,8-tetrahydro-1H-pyrrolo[3,2-c]azepine-2-carboxylic acid
CID 155970550
2-bromo-6-methyl-4,5,7,8-tetrahydro-1H-pyrrolo[2,3-d]azepine
CID 84792524
5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 70258346
3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522143

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone (CID 82410032) is 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone is CC(=O)c1cc2c([nH]1)CCN(C)C2.
What is the InChIKey of 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
The InChIKey is LARHZHBDLCGBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)10-5-8-6-12(2)4-3-9(8)11-10/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone?
1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 82410032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).