1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione

C10H15NO3 — CID 62520538

IUPAC1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione
SMILESCCC(CC)(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-3-10(4-2,7-12)11-8(13)5-6-9(11)14/h5-6,12H,3-4,7H2,1-2H3
InChIKeyFUEWBCCPQFQTDT-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds4

About 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione

1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione (PubChem CID 62520538) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione
PubChem CID62520538
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione
SMILESCCC(CC)(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-3-10(4-2,7-12)11-8(13)5-6-9(11)14/h5-6,12H,3-4,7H2,1-2H3
InChIKeyFUEWBCCPQFQTDT-UHFFFAOYSA-N
XLogP0.46
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.46
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-(1-(hydroxymethyl)cyclopropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 116348788
1-(1-Hydroxy-2-methylpropan-2-yl)pyrrole-2,5-dione
CID 22114711
1-(1,1-Dihydroxy-2-methylpentan-2-yl)pyrrole-2,5-dione
CID 53841762
1-(1-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 64558401
1-(1-Hydroxy-3-methylpentan-3-yl)pyrrole-2,5-dione
CID 106172460
1-(4-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 116344276
1-(3-Hydroxy-2-methylbutan-2-yl)pyrrole-2,5-dione
CID 116359206
1-(4-Hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
CID 121483281
1-(1-Hydroxy-2,3-dimethylbutan-2-yl)pyrrole-2,5-dione
CID 121483285
1-(2-Hydroxy-3-methylpentan-3-yl)pyrrole-2,5-dione
CID 121483301
1-(1-Hydroxy-3-methylpentan-2-yl)pyrrole-2,5-dione
CID 121483309
1-(3-Hydroxy-2-methylpentan-2-yl)pyrrole-2,5-dione
CID 121483322

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione (CID 62520538) is 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione is CCC(CC)(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione?
The InChIKey is FUEWBCCPQFQTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-10(4-2,7-12)11-8(13)5-6-9(11)14/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione?
1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)pentan-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 62520538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).