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

C10H14N2O — CID 169082507

IUPAC1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c(n1C)CNCC2
InChIInChI=1S/C10H14N2O/c1-7(13)9-5-8-3-4-11-6-10(8)12(9)2/h5,11H,3-4,6H2,1-2H3
InChIKeyODBFIVPUOQZMEU-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.87
Rot. Bonds1

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

1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone (PubChem CID 169082507) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone
PubChem CID169082507
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone
SMILESCC(=O)c1cc2c(n1C)CNCC2
InChIInChI=1S/C10H14N2O/c1-7(13)9-5-8-3-4-11-6-10(8)12(9)2/h5,11H,3-4,6H2,1-2H3
InChIKeyODBFIVPUOQZMEU-UHFFFAOYSA-N
XLogP0.87
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone;hydrochloride
CID 162440776
(3-ethyl-3-fluoroazetidin-1-yl)-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)methanone
CID 163519572
1,3-bis(3,3-difluoroazetidin-1-yl)-1,3-bis(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)propan-2-one;hydrochloride
CID 169082508
N-(2-amino-1-cyclopropyl-2-oxoethyl)-1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine-2-carboxamide
CID 167906313
1-methyl-2-oxo-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 105461542
1-methyl-4,5,6,7-tetrahydroindole-2-carboxylic acid
CID 83816824
1-(4,5,6,7-tetrahydrothieno[3,4-c]pyridin-3-yl)ethanone
CID 82408181
1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)ethanone
CID 67161719
acetamide;1,2,3,4-tetrahydroisoquinoline
CID 67612975
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
CID 22711006
1-methyl-5-nitro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrole-2-carboxamide;hydrochloride
CID 119581212
2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 12515082

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone?
The IUPAC name of 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone (CID 169082507) is 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone?
The canonical SMILES for 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone is CC(=O)c1cc2c(n1C)CNCC2.
What is the InChIKey of 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone?
The InChIKey is ODBFIVPUOQZMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(13)9-5-8-3-4-11-6-10(8)12(9)2/h5,11H,3-4,6H2,1-2H3.
What are the key properties of 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone?
1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,5,6,7-tetrahydropyrrolo[2,3-c]pyridin-2-yl)ethanone is sourced from PubChem (CID 169082507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).