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

C12H14N2O — CID 43161303

IUPAC2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H14N2O/c1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11/h4-7H,1-3H3,(H,13,14)
InChIKeyNNMKKPFYHJGIRS-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.79
Rot. Bonds1

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

2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (PubChem CID 43161303) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
PubChem CID43161303
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C12H14N2O/c1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11/h4-7H,1-3H3,(H,13,14)
InChIKeyNNMKKPFYHJGIRS-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)butan-1-one
CID 62678587
2,2,3,3,3-pentafluoro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one
CID 114037995
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
(4-tert-butylphenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339406
2-chloro-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 12778217
2,2-dimethyl-1-(5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one
CID 67375660
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 161285453
N-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474919
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one (CID 43161303) is 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
The InChIKey is NNMKKPFYHJGIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-12(2,3)10(15)9-7-14-11-8(9)5-4-6-13-11/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one?
2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one has a molecular weight of 202.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1H-pyrrolo[2,3-b]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 43161303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).