6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione

C13H14N2O2 — CID 3235817

IUPAC6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1C1CCCCC1
InChIInChI=1S/C13H14N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyQDXKFLMQKVEENF-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.01
Rot. Bonds1

About 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione

6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 3235817) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID3235817
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione
SMILESO=C1c2cccnc2C(=O)N1C1CCCCC1
InChIInChI=1S/C13H14N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2
InChIKeyQDXKFLMQKVEENF-UHFFFAOYSA-N
XLogP2.01
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.01
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-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione (CID 3235817) is 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione is O=C1c2cccnc2C(=O)N1C1CCCCC1.
What is the InChIKey of 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is QDXKFLMQKVEENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-10-7-4-8-14-11(10)13(17)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2.
What are the key properties of 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione?
6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 230.27 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexylpyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 3235817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).