1-(1-hydroxyhexyl)pyrrole-2,5-dione

C10H15NO3 — CID 121483359

IUPAC1-(1-hydroxyhexyl)pyrrole-2,5-dione
SMILESCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h6-8,12H,2-5H2,1H3
InChIKeyOGJARIXBMOTJTL-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.81
Rot. Bonds5

About 1-(1-hydroxyhexyl)pyrrole-2,5-dione

1-(1-hydroxyhexyl)pyrrole-2,5-dione (PubChem CID 121483359) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(1-hydroxyhexyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxyhexyl)pyrrole-2,5-dione
PubChem CID121483359
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(1-hydroxyhexyl)pyrrole-2,5-dione
SMILESCCCCCC(O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h6-8,12H,2-5H2,1H3
InChIKeyOGJARIXBMOTJTL-UHFFFAOYSA-N
XLogP0.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptan-2-ylpyrrole-2,5-dione
CID 22388775
1-[1-[1-(2,5-dioxopyrrol-1-yl)hexylamino]hexyl]pyrrole-2,5-dione
CID 22722392
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
1,3,5-tris(1-hydroxydecyl)-1,3,5-triazinane-2,4,6-trione
CID 139814368
2-(2,5-dioxopyrrol-1-yl)hexanoyl chloride
CID 86594965
zinc;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635941
calcium;2-(2,5-dioxopyrrol-1-yl)undecanoate;prop-2-enoate
CID 66635943
1-(2-methyldodecyl)pyrrole-2,5-dione
CID 129274681
1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
2-[2-(2,5-dioxopyrrol-1-yl)ethyl]hexadecanoic acid
CID 54422331

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyhexyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxyhexyl)pyrrole-2,5-dione (CID 121483359) is 1-(1-hydroxyhexyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxyhexyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxyhexyl)pyrrole-2,5-dione is CCCCCC(O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxyhexyl)pyrrole-2,5-dione?
The InChIKey is OGJARIXBMOTJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-(1-hydroxyhexyl)pyrrole-2,5-dione?
1-(1-hydroxyhexyl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyhexyl)pyrrole-2,5-dione is sourced from PubChem (CID 121483359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).