5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one

C11H14N2O — CID 67962240

IUPAC5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)n1ccc2c(c1=O)CC=N2
InChIInChI=1S/C11H14N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h5-7H,4H2,1-3H3
InChIKeyYJRXXJTZZKVCPB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds

About 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one

5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 67962240) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID67962240
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(C)n1ccc2c(c1=O)CC=N2
InChIInChI=1S/C11H14N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h5-7H,4H2,1-3H3
InChIKeyYJRXXJTZZKVCPB-UHFFFAOYSA-N
XLogP1.86
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one (CID 67962240) is 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one is CC(C)(C)n1ccc2c(c1=O)CC=N2.
What is the InChIKey of 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is YJRXXJTZZKVCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,3)13-7-5-9-8(10(13)14)4-6-12-9/h5-7H,4H2,1-3H3.
What are the key properties of 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one?
5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 190.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 67962240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).