2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol

C8H12N2O2 — CID 54035560

IUPAC2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol
SMILESCn1c(O)c2c(c1O)CNCC2
InChIInChI=1S/C8H12N2O2/c1-10-7(11)5-2-3-9-4-6(5)8(10)12/h9,11-12H,2-4H2,1H3
InChIKeyLIRUDHPJPFKXNX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.08
Rot. Bonds

About 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol

2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol (PubChem CID 54035560) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol
PubChem CID54035560
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol
SMILESCn1c(O)c2c(c1O)CNCC2
InChIInChI=1S/C8H12N2O2/c1-10-7(11)5-2-3-9-4-6(5)8(10)12/h9,11-12H,2-4H2,1H3
InChIKeyLIRUDHPJPFKXNX-UHFFFAOYSA-N
XLogP0.08
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol (CID 54035560) is 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol is Cn1c(O)c2c(c1O)CNCC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol?
The InChIKey is LIRUDHPJPFKXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-10-7(11)5-2-3-9-4-6(5)8(10)12/h9,11-12H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol?
2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol has a molecular weight of 168.20 g/mol, XLogP of 0.08, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydropyrrolo[3,4-c]pyridine-1,3-diol is sourced from PubChem (CID 54035560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).