2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one

C11H12N2O — CID 71743078

IUPAC2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2cc[nH]c2n1
InChIInChI=1S/C11H12N2O/c1-7(2)10(14)9-4-3-8-5-6-12-11(8)13-9/h3-7H,1-2H3,(H,12,13)
InChIKeyVXEJFBQTKHJGIO-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one

2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one (PubChem CID 71743078) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
PubChem CID71743078
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one
SMILESCC(C)C(=O)c1ccc2cc[nH]c2n1
InChIInChI=1S/C11H12N2O/c1-7(2)10(14)9-4-3-8-5-6-12-11(8)13-9/h3-7H,1-2H3,(H,12,13)
InChIKeyVXEJFBQTKHJGIO-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-pyrrolo[2,3-b]pyridin-6-yl)ethanone
CID 71743048
cyclopropyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 69009468
1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157016726
N-(2-methyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 166222428
N'-(3-methoxypyrazin-2-yl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138043475
N'-(6-chloro-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridine-6-carbohydrazide
CID 138042469
N-[phenyl(1H-pyrrolo[2,3-b]pyridin-6-yl)methylidene]hydroxylamine
CID 141180191
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127777972
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778414
N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
CID 127776962
N-[(4-carbamoylfuran-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-6-carboxamide
CID 139010156
2-methyl-1-(2-methylpyrimidin-4-yl)propan-1-one
CID 23333319

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one (CID 71743078) is 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one is CC(C)C(=O)c1ccc2cc[nH]c2n1.
What is the InChIKey of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one?
The InChIKey is VXEJFBQTKHJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-7(2)10(14)9-4-3-8-5-6-12-11(8)13-9/h3-7H,1-2H3,(H,12,13).
What are the key properties of 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one?
2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one has a molecular weight of 188.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrrolo[2,3-b]pyridin-6-yl)propan-1-one is sourced from PubChem (CID 71743078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).