1-(3-hydroxypropyl)pyrrole-2,5-dione

C7H9NO3 — CID 22177285

IUPAC1-(3-hydroxypropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCO
InChIInChI=1S/C7H9NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,9H,1,4-5H2
InChIKeyJBESFMOSFGXJEE-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.71
Rot. Bonds3

About 1-(3-hydroxypropyl)pyrrole-2,5-dione

1-(3-hydroxypropyl)pyrrole-2,5-dione (PubChem CID 22177285) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)pyrrole-2,5-dione
PubChem CID22177285
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-(3-hydroxypropyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCCO
InChIInChI=1S/C7H9NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,9H,1,4-5H2
InChIKeyJBESFMOSFGXJEE-UHFFFAOYSA-N
XLogP-0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.71
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

N-Methylolmaleimide
CID 227678
N-(2-Hydroxyethyl)maleimide
CID 458487
1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
N-(2,3-dihydroxypropyl) maleimide
CID 54156412
1-(2,2-Difluoro-3-hydroxypropyl)pyrrole-2,5-dione
CID 106172600
1-(3,3-Dihydroxypropyl)pyrrole-2,5-dione
CID 5255719
1-(3-Hydroxy-2-oxopropyl)pyrrole-2,5-dione
CID 11412609
1-(3-Methoxypropyl)pyrrole-2,5-dione
CID 19421215
N-(3-hydroxypropyl)-N-methylprop-2-enamide
CID 20318661
1-(4-Hydroxybutan-2-yl)pyrrole-2,5-dione
CID 20437108
N,N-bis(3-hydroxypropyl)prop-2-enamide
CID 20481448
N-(4-Hydroxybutyl)maleimide
CID 21661276

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-hydroxypropyl)pyrrole-2,5-dione (CID 22177285) is 1-(3-hydroxypropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-hydroxypropyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1CCCO.
What is the InChIKey of 1-(3-hydroxypropyl)pyrrole-2,5-dione?
The InChIKey is JBESFMOSFGXJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,9H,1,4-5H2.
What are the key properties of 1-(3-hydroxypropyl)pyrrole-2,5-dione?
1-(3-hydroxypropyl)pyrrole-2,5-dione has a molecular weight of 155.15 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)pyrrole-2,5-dione is sourced from PubChem (CID 22177285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).