1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione

C11H17NO3 — CID 107155458

IUPAC1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione
SMILESCC(C)(C)CC(O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-11(2,3)6-8(13)7-12-9(14)4-5-10(12)15/h4-5,8,13H,6-7H2,1-3H3
InChIKeySLPIAQILZHXEHV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds3

About 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione

1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione (PubChem CID 107155458) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione
PubChem CID107155458
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione
SMILESCC(C)(C)CC(O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-11(2,3)6-8(13)7-12-9(14)4-5-10(12)15/h4-5,8,13H,6-7H2,1-3H3
InChIKeySLPIAQILZHXEHV-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
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 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione (CID 107155458) is 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione is CC(C)(C)CC(O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione?
The InChIKey is SLPIAQILZHXEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,3)6-8(13)7-12-9(14)4-5-10(12)15/h4-5,8,13H,6-7H2,1-3H3.
What are the key properties of 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione?
1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4,4-dimethylpentyl)pyrrole-2,5-dione is sourced from PubChem (CID 107155458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).