3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one

C12H16N2O — CID 14739529

IUPAC3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)N1C(=O)C(C)(C)c2cccnc21
InChIInChI=1S/C12H16N2O/c1-8(2)14-10-9(6-5-7-13-10)12(3,4)11(14)15/h5-8H,1-4H3
InChIKeyLWBSEJMDONAAKM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.11
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one

3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one (PubChem CID 14739529) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one
PubChem CID14739529
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one
SMILESCC(C)N1C(=O)C(C)(C)c2cccnc21
InChIInChI=1S/C12H16N2O/c1-8(2)14-10-9(6-5-7-13-10)12(3,4)11(14)15/h5-8H,1-4H3
InChIKeyLWBSEJMDONAAKM-UHFFFAOYSA-N
XLogP2.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one (CID 14739529) is 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one is CC(C)N1C(=O)C(C)(C)c2cccnc21.
What is the InChIKey of 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one?
The InChIKey is LWBSEJMDONAAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(2)14-10-9(6-5-7-13-10)12(3,4)11(14)15/h5-8H,1-4H3.
What are the key properties of 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one?
3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one has a molecular weight of 204.27 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 14739529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).