6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

C13H16N2O2 — CID 3243857

IUPAC6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1C1CCCCC1
InChIInChI=1S/C13H16N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2
InChIKeyDDIZACCQHDMMQN-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.86
Rot. Bonds1

About 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one

6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 3243857) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID3243857
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2C(O)N1C1CCCCC1
InChIInChI=1S/C13H16N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2
InChIKeyDDIZACCQHDMMQN-UHFFFAOYSA-N
XLogP1.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one (CID 3243857) is 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2C(O)N1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is DDIZACCQHDMMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9,13,17H,1-3,5-6H2.
What are the key properties of 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one?
6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 232.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-7-hydroxy-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 3243857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).