6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one

C10H12N2O — CID 21300282

IUPAC6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
SMILESCN1C(=O)c2cccnc2C1(C)C
InChIInChI=1S/C10H12N2O/c1-10(2)8-7(5-4-6-11-8)9(13)12(10)3/h4-6H,1-3H3
InChIKeyDSYIAVYZKRMOJA-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.40
Rot. Bonds

About 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one

6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one (PubChem CID 21300282) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
PubChem CID21300282
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one
SMILESCN1C(=O)c2cccnc2C1(C)C
InChIInChI=1S/C10H12N2O/c1-10(2)8-7(5-4-6-11-8)9(13)12(10)3/h4-6H,1-3H3
InChIKeyDSYIAVYZKRMOJA-UHFFFAOYSA-N
XLogP1.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one (CID 21300282) is 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one is CN1C(=O)c2cccnc2C1(C)C.
What is the InChIKey of 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DSYIAVYZKRMOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-10(2)8-7(5-4-6-11-8)9(13)12(10)3/h4-6H,1-3H3.
What are the key properties of 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one?
6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one has a molecular weight of 176.22 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 21300282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).