6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

C12H16N2O2 — CID 50955652

IUPAC6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)[C@H](CO)N1Cc2ncccc2C1=O
InChIInChI=1S/C12H16N2O2/c1-8(2)11(7-15)14-6-10-9(12(14)16)4-3-5-13-10/h3-5,8,11,15H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyMUHXGYZZXNDURK-NSHDSACASA-N
MW220.27 g/mol
LogP1.05
Rot. Bonds3

About 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50955652) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50955652
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)[C@H](CO)N1Cc2ncccc2C1=O
InChIInChI=1S/C12H16N2O2/c1-8(2)11(7-15)14-6-10-9(12(14)16)4-3-5-13-10/h3-5,8,11,15H,6-7H2,1-2H3/t11-/m0/s1
InChIKeyMUHXGYZZXNDURK-NSHDSACASA-N
XLogP1.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50955652) is 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(C)[C@H](CO)N1Cc2ncccc2C1=O.
What is the InChIKey of 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is MUHXGYZZXNDURK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)11(7-15)14-6-10-9(12(14)16)4-3-5-13-10/h3-5,8,11,15H,6-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 220.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50955652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).