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

C9H13NO3 — CID 18368754

IUPAC1-(5-hydroxypentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCO
InChIInChI=1S/C9H13NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5,11H,1-3,6-7H2
InChIKeyYTIZONIKDWSRFR-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds5

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

1-(5-hydroxypentyl)pyrrole-2,5-dione (PubChem CID 18368754) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyrrole-2,5-dione
PubChem CID18368754
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(5-hydroxypentyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCCCO
InChIInChI=1S/C9H13NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5,11H,1-3,6-7H2
InChIKeyYTIZONIKDWSRFR-UHFFFAOYSA-N
XLogP0.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
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-(2-(Hydroxymethyl)pyrrolidin-1-yl)prop-2-en-1-one
CID 19103319
6-Maleimido-1-hexanol
CID 12193799
1-(5-Methoxypentyl)pyrrole-2,5-dione
CID 21351003
N-(4-Hydroxybutyl)maleimide
CID 21661276
1-[5-Hydroxy-4-(hydroxymethyl)pentyl]pyrrole-2,5-dione
CID 23510751
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 53737449
1-(1-Hydroxybutyl)pyrrole-2,5-dione
CID 57172879
1-(5-Hydroxypentan-2-yl)pyrrole-2,5-dione
CID 59378707
1-[2-(Hydroxymethyl)pyrrolidin-1-yl]but-2-en-1-one
CID 61411166
1-(4-Hydroxyhexyl)pyrrole-2,5-dione
CID 67068190
1-(5-Hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
1-(5-Hydroxyhexyl)pyrrole-2,5-dione
CID 67068205

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(5-hydroxypentyl)pyrrole-2,5-dione (CID 18368754) is 1-(5-hydroxypentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(5-hydroxypentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(5-hydroxypentyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCCCO.
What is the InChIKey of 1-(5-hydroxypentyl)pyrrole-2,5-dione?
The InChIKey is YTIZONIKDWSRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-7-3-1-2-6-10-8(12)4-5-9(10)13/h4-5,11H,1-3,6-7H2.
What are the key properties of 1-(5-hydroxypentyl)pyrrole-2,5-dione?
1-(5-hydroxypentyl)pyrrole-2,5-dione has a molecular weight of 183.21 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)pyrrole-2,5-dione is sourced from PubChem (CID 18368754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).