1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione

C11H10N2O5 — CID 58402351

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O5/c14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18/h1-4,7,14H,5-6H2
InChIKeyLGAVXKQPXFQVGR-UHFFFAOYSA-N
MW250.21 g/mol
LogP-1.80
Rot. Bonds4

About 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione

1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione (PubChem CID 58402351) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
PubChem CID58402351
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H10N2O5/c14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18/h1-4,7,14H,5-6H2
InChIKeyLGAVXKQPXFQVGR-UHFFFAOYSA-N
XLogP-1.80
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-1.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxypropyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12858661
1,4-Dimaleimido-2,3-butanediol
CID 5044263
N-(2,3-dihydroxypropyl) maleimide
CID 54156412
(E)-N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 15325393
1-[3-[[3-[3-(2,5-Dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
CID 19438623
1-[2-Hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
CID 19968753
N-(3-amino-2-hydroxypropyl)-3-(2,5-dioxopyrrol-1-yl)-N-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanamide
CID 22614193
1,3-Bis-(n-acryloyl-n-propyl-amino)-2-hydroxypropane
CID 23132167
1-[2-[Bis(2-hydroxyethyl)amino]ethyl]pyrrole-2,5-dione
CID 23510749
N,N,N',N'-tetrakis(2-hydroxyethyl)but-2-enediamide
CID 53664444
1-(2-Hydroxy-3-methoxypropyl)pyrrole-2,5-dione
CID 64286566
1-[2-(2,5-Dioxopyrrol-1-yl)-1,2-dihydroxyethyl]pyrrole-2,5-dione
CID 66775193

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione (CID 58402351) is 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CC(O)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione?
The InChIKey is LGAVXKQPXFQVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c14-7(5-12-8(15)1-2-9(12)16)6-13-10(17)3-4-11(13)18/h1-4,7,14H,5-6H2.
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione?
1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione has a molecular weight of 250.21 g/mol, XLogP of -1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione is sourced from PubChem (CID 58402351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).