1-(10-hydroxydecyl)pyrrole-2,5-dione

C14H23NO3 — CID 68660027

IUPAC1-(10-hydroxydecyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCO
InChIInChI=1S/C14H23NO3/c16-12-8-6-4-2-1-3-5-7-11-15-13(17)9-10-14(15)18/h9-10,16H,1-8,11-12H2
InChIKeyRPCCBXBZRMZYTJ-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.02
Rot. Bonds10

About 1-(10-hydroxydecyl)pyrrole-2,5-dione

1-(10-hydroxydecyl)pyrrole-2,5-dione (PubChem CID 68660027) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(10-hydroxydecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(10-hydroxydecyl)pyrrole-2,5-dione
PubChem CID68660027
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(10-hydroxydecyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCCCCCCO
InChIInChI=1S/C14H23NO3/c16-12-8-6-4-2-1-3-5-7-11-15-13(17)9-10-14(15)18/h9-10,16H,1-8,11-12H2
InChIKeyRPCCBXBZRMZYTJ-UHFFFAOYSA-N
XLogP2.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.02
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

2-(2,5-dioxopyrrol-1-yl)ethyl 6-hydroxyhexanoate
CID 122577668
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
1-(14-sulfanyltetradecyl)pyrrole-2,5-dione
CID 173127689
1-(5-iodopentyl)pyrrole-2,5-dione
CID 89213790
1-(13-sulfanyltridecyl)pyrrole-2,5-dione
CID 173127544
1-hexadecylpyrrole-2,5-dione
CID 4526314
CID 170745532
CID 170745532
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
1-[3-(2-hydroxyethoxy)propyl]pyrrole-2,5-dione
CID 59992624

Frequently Asked Questions

What is the IUPAC name of 1-(10-hydroxydecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(10-hydroxydecyl)pyrrole-2,5-dione (CID 68660027) is 1-(10-hydroxydecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(10-hydroxydecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(10-hydroxydecyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCCCCCCO.
What is the InChIKey of 1-(10-hydroxydecyl)pyrrole-2,5-dione?
The InChIKey is RPCCBXBZRMZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-12-8-6-4-2-1-3-5-7-11-15-13(17)9-10-14(15)18/h9-10,16H,1-8,11-12H2.
What are the key properties of 1-(10-hydroxydecyl)pyrrole-2,5-dione?
1-(10-hydroxydecyl)pyrrole-2,5-dione has a molecular weight of 253.34 g/mol, XLogP of 2.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-hydroxydecyl)pyrrole-2,5-dione is sourced from PubChem (CID 68660027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).