2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one

C11H14N2O2 — CID 4603895

IUPAC2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(C)n1)C(=O)N(CCO)C2
InChIInChI=1S/C11H14N2O2/c1-7-5-9-6-13(3-4-14)11(15)10(9)8(2)12-7/h5,14H,3-4,6H2,1-2H3
InChIKeyMMXPPLFYEURNQN-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.65
Rot. Bonds2

About 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one

2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 4603895) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID4603895
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cc2c(c(C)n1)C(=O)N(CCO)C2
InChIInChI=1S/C11H14N2O2/c1-7-5-9-6-13(3-4-14)11(15)10(9)8(2)12-7/h5,14H,3-4,6H2,1-2H3
InChIKeyMMXPPLFYEURNQN-UHFFFAOYSA-N
XLogP0.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 4603895) is 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one is Cc1cc2c(c(C)n1)C(=O)N(CCO)C2.
What is the InChIKey of 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is MMXPPLFYEURNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-5-9-6-13(3-4-14)11(15)10(9)8(2)12-7/h5,14H,3-4,6H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 206.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,6-dimethyl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 4603895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).