3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one

C8H8N2O2 — CID 135770649

IUPAC3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCC1=NC(=O)c2c(C)[nH]c(O)c21
InChIInChI=1S/C8H8N2O2/c1-3-5-6(8(12)9-3)4(2)10-7(5)11/h9,12H,1-2H3
InChIKeyCBTPZTXPQKLKIX-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.99
Rot. Bonds

About 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one

3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one (PubChem CID 135770649) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one.

Molecular Properties

Compound Name3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one
PubChem CID135770649
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one
SMILESCC1=NC(=O)c2c(C)[nH]c(O)c21
InChIInChI=1S/C8H8N2O2/c1-3-5-6(8(12)9-3)4(2)10-7(5)11/h9,12H,1-2H3
InChIKeyCBTPZTXPQKLKIX-UHFFFAOYSA-N
XLogP0.99
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The IUPAC name of 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one (CID 135770649) is 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one.
What is the SMILES notation for 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The canonical SMILES for 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one is CC1=NC(=O)c2c(C)[nH]c(O)c21.
What is the InChIKey of 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
The InChIKey is CBTPZTXPQKLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-3-5-6(8(12)9-3)4(2)10-7(5)11/h9,12H,1-2H3.
What are the key properties of 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one?
3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one has a molecular weight of 164.16 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,4-dimethyl-2H-pyrrolo[3,4-c]pyrrol-6-one is sourced from PubChem (CID 135770649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).