6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione

C15H18N2O2 — CID 126478886

IUPAC6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1CCCC(N2C(=O)c3cccnc3C2=O)C1C
InChIInChI=1S/C15H18N2O2/c1-9-5-3-7-12(10(9)2)17-14(18)11-6-4-8-16-13(11)15(17)19/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKeyFQTHZBGJBHGYQT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.50
Rot. Bonds1

About 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione

6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 126478886) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID126478886
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCC1CCCC(N2C(=O)c3cccnc3C2=O)C1C
InChIInChI=1S/C15H18N2O2/c1-9-5-3-7-12(10(9)2)17-14(18)11-6-4-8-16-13(11)15(17)19/h4,6,8-10,12H,3,5,7H2,1-2H3
InChIKeyFQTHZBGJBHGYQT-UHFFFAOYSA-N
XLogP2.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione (CID 126478886) is 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione is CC1CCCC(N2C(=O)c3cccnc3C2=O)C1C.
What is the InChIKey of 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is FQTHZBGJBHGYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-9-5-3-7-12(10(9)2)17-14(18)11-6-4-8-16-13(11)15(17)19/h4,6,8-10,12H,3,5,7H2,1-2H3.
What are the key properties of 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione?
6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 258.32 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylcyclohexyl)pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 126478886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).