3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione

C10H15NO3 — CID 121483276

IUPAC3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione
SMILESCC(C)(C)C(O)CC1=CC(=O)NC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)7(12)4-6-5-8(13)11-9(6)14/h5,7,12H,4H2,1-3H3,(H,11,13,14)
InChIKeyRBBPBVBZYXNACK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.37
Rot. Bonds2

About 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione

3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione (PubChem CID 121483276) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione
PubChem CID121483276
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione
SMILESCC(C)(C)C(O)CC1=CC(=O)NC1=O
InChIInChI=1S/C10H15NO3/c1-10(2,3)7(12)4-6-5-8(13)11-9(6)14/h5,7,12H,4H2,1-3H3,(H,11,13,14)
InChIKeyRBBPBVBZYXNACK-UHFFFAOYSA-N
XLogP0.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
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 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione (CID 121483276) is 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione is CC(C)(C)C(O)CC1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione?
The InChIKey is RBBPBVBZYXNACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)7(12)4-6-5-8(13)11-9(6)14/h5,7,12H,4H2,1-3H3,(H,11,13,14).
What are the key properties of 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione?
3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3,3-dimethylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 121483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).