2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione

C14H18N2O3 — CID 106146222

IUPAC2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)(CCCO)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,5-3-7-17)9-16-12(18)10-4-6-15-8-11(10)13(16)19/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyZIKOCLARRZGHMO-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds5

About 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione

2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 106146222) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID106146222
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione
SMILESCC(C)(CCCO)CN1C(=O)c2ccncc2C1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,5-3-7-17)9-16-12(18)10-4-6-15-8-11(10)13(16)19/h4,6,8,17H,3,5,7,9H2,1-2H3
InChIKeyZIKOCLARRZGHMO-UHFFFAOYSA-N
XLogP1.48
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione (CID 106146222) is 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione is CC(C)(CCCO)CN1C(=O)c2ccncc2C1=O.
What is the InChIKey of 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is ZIKOCLARRZGHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,5-3-7-17)9-16-12(18)10-4-6-15-8-11(10)13(16)19/h4,6,8,17H,3,5,7,9H2,1-2H3.
What are the key properties of 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione?
2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 262.31 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2,2-dimethylpentyl)pyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 106146222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).