1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione

C11H17NO3 — CID 67149618

IUPAC1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
SMILESCC(C)(CCO)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-11(2,6-8-13)5-7-12-9(14)3-4-10(12)15/h3-4,13H,5-8H2,1-2H3
InChIKeyDQFJQELEZWKGCS-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.71
Rot. Bonds5

About 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione

1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione (PubChem CID 67149618) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
PubChem CID67149618
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione
SMILESCC(C)(CCO)CCN1C(=O)C=CC1=O
InChIInChI=1S/C11H17NO3/c1-11(2,6-8-13)5-7-12-9(14)3-4-10(12)15/h3-4,13H,5-8H2,1-2H3
InChIKeyDQFJQELEZWKGCS-UHFFFAOYSA-N
XLogP0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

1-[3-(2-hydroxyethyl)-5-(propan-2-ylamino)-3-[2-(propan-2-ylamino)ethyl]pentyl]pyrrole-2,5-dione
CID 168747549
1-(10-hydroxydecyl)pyrrole-2,5-dione
CID 68660027
tert-butyl N-[[4-(2,5-dioxopyrrol-1-yl)-2,2-dimethylbutanoyl]amino]carbamate
CID 71004159
8-(2,5-dioxopyrrol-1-yl)-N-hexan-2-yl-4,4,6,6-tetramethyloctanamide
CID 166799740
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
N-(3,3-dimethylbutyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 118446686
5-chloro-3,3-dimethylpentan-1-ol
CID 139625644
1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
CID 59992624
1-(2,2,4,4-tetramethylpentyl)pyrrole-2,5-dione
CID 123912604
1-[3-methyl-3-[2-methyl-2-(2-methylpropoxy)propoxy]butyl]pyrrole-2,5-dione
CID 155076992
2,2-dimethylpropan-1-one;1-propylpyrrole-2,5-dione;yttrium
CID 159477916

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione (CID 67149618) is 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione is CC(C)(CCO)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione?
The InChIKey is DQFJQELEZWKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2,6-8-13)5-7-12-9(14)3-4-10(12)15/h3-4,13H,5-8H2,1-2H3.
What are the key properties of 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione?
1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-3,3-dimethylpentyl)pyrrole-2,5-dione is sourced from PubChem (CID 67149618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).