1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

C10H15ClN2O — CID 171808210

IUPAC1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1cc(=O)n(C)c2c1CNC2C.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-4-9(13)12(3)10-7(2)11-5-8(6)10;/h4,7,11H,5H2,1-3H3;1H
InChIKeyOOVFDFONXLGQNC-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.28
Rot. Bonds

About 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride

1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (PubChem CID 171808210) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
PubChem CID171808210
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride
SMILESCc1cc(=O)n(C)c2c1CNC2C.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-6-4-9(13)12(3)10-7(2)11-5-8(6)10;/h4,7,11H,5H2,1-3H3;1H
InChIKeyOOVFDFONXLGQNC-UHFFFAOYSA-N
XLogP1.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride 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 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The IUPAC name of 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride (CID 171808210) is 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The canonical SMILES for 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is Cc1cc(=O)n(C)c2c1CNC2C.Cl.
What is the InChIKey of 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
The InChIKey is OOVFDFONXLGQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-6-4-9(13)12(3)10-7(2)11-5-8(6)10;/h4,7,11H,5H2,1-3H3;1H.
What are the key properties of 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride?
1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-trimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-one;hydrochloride is sourced from PubChem (CID 171808210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).