1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one

C12H18N2O — CID 175411269

IUPAC1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one
SMILESCN1C(=O)C(C)(C)C2=NC(C)(C)CC=C21
InChIInChI=1S/C12H18N2O/c1-11(2)7-6-8-9(13-11)12(3,4)10(15)14(8)5/h6H,7H2,1-5H3
InChIKeyPPXIFSJZWXWQKD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.99
Rot. Bonds

About 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one

1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one (PubChem CID 175411269) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one
PubChem CID175411269
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one
SMILESCN1C(=O)C(C)(C)C2=NC(C)(C)CC=C21
InChIInChI=1S/C12H18N2O/c1-11(2)7-6-8-9(13-11)12(3,4)10(15)14(8)5/h6H,7H2,1-5H3
InChIKeyPPXIFSJZWXWQKD-UHFFFAOYSA-N
XLogP1.99
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one (CID 175411269) is 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one is CN1C(=O)C(C)(C)C2=NC(C)(C)CC=C21.
What is the InChIKey of 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one?
The InChIKey is PPXIFSJZWXWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-11(2)7-6-8-9(13-11)12(3,4)10(15)14(8)5/h6H,7H2,1-5H3.
What are the key properties of 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one?
1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one has a molecular weight of 206.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5,5-pentamethyl-6H-pyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 175411269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).