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

C10H15NO3 — CID 121483270

IUPAC1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)C(C)(C)O
InChIInChI=1S/C10H15NO3/c1-7(10(2,3)14)6-11-8(12)4-5-9(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyXBMQQUAEZGMOCZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.32
Rot. Bonds3

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

1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione (PubChem CID 121483270) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
PubChem CID121483270
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione
SMILESCC(CN1C(=O)C=CC1=O)C(C)(C)O
InChIInChI=1S/C10H15NO3/c1-7(10(2,3)14)6-11-8(12)4-5-9(11)13/h4-5,7,14H,6H2,1-3H3
InChIKeyXBMQQUAEZGMOCZ-UHFFFAOYSA-N
XLogP0.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.32
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-[(2R,3R)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 84820686
1-[(3S)-4-(2,5-dioxopyrrol-1-yl)-2,3-dihydroxybutyl]pyrrole-2,5-dione
CID 139814524
tert-butyl 2-amino-3-(2,5-dioxopyrrol-1-yl)propanoate
CID 90457852
3-(2,5-dioxopyrrol-1-yl)-2-methylpropane-1-sulfonic acid
CID 118901333
1-(2-methyl-3-methylsulfanylpropyl)pyrrole-2,5-dione
CID 63964997
1-[(2S)-2-propan-2-yloxypropyl]pyrrole-2,5-dione
CID 177094546
2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515
1-[1-(2,5-dioxopyrrol-1-yl)propan-2-yl]-3-hydroxypyrrole-2,5-dione
CID 67861076
1-[2-[(2,5-dioxopyrrol-1-yl)methyl-[3-(2,5-dioxopyrrol-1-yl)-3-methylbutan-2-yl]amino]propyl]pyrrole-2,5-dione
CID 176969051
1-(2,5-dioxopyrrol-1-yl)-6,6-dimethyl-4-oxoheptane-2-sulfinic acid
CID 159780277
1-[2-(2-hydroxyethyl)pentyl]pyrrole-2,5-dione
CID 106116952
1-(2-cyclononylpropyl)pyrrole-2,5-dione
CID 123502903

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione (CID 121483270) is 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione is CC(CN1C(=O)C=CC1=O)C(C)(C)O.
What is the InChIKey of 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione?
The InChIKey is XBMQQUAEZGMOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(10(2,3)14)6-11-8(12)4-5-9(11)13/h4-5,7,14H,6H2,1-3H3.
What are the key properties of 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione?
1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,3-dimethylbutyl)pyrrole-2,5-dione is sourced from PubChem (CID 121483270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).