1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione

C13H14N2O5 — CID 19968753

IUPAC1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(O)CN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C13H14N2O5/c1-7-3-10(17)14(12(7)19)5-9(16)6-15-11(18)4-8(2)13(15)20/h3-4,9,16H,5-6H2,1-2H3
InChIKeyQSGQCMFKGJJFID-UHFFFAOYSA-N
MW278.26 g/mol
LogP-1.02
Rot. Bonds4

About 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione

1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione (PubChem CID 19968753) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
PubChem CID19968753
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CC(O)CN2C(=O)C=C(C)C2=O)C1=O
InChIInChI=1S/C13H14N2O5/c1-7-3-10(17)14(12(7)19)5-9(16)6-15-11(18)4-8(2)13(15)20/h3-4,9,16H,5-6H2,1-2H3
InChIKeyQSGQCMFKGJJFID-UHFFFAOYSA-N
XLogP-1.02
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-2,5-dione
CID 105649118
1-(3,3-Difluoro-2-hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 105649220
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
1-(2-Hydroxypropyl)-3,4-dimethylpyrrole-2,5-dione
CID 20184389
1-(2,3-Dihydroxypropyl)-3-methylpyrrole-2,5-dione
CID 54126600
1-[3-(2,5-Dioxopyrrol-1-yl)-2-hydroxypropyl]pyrrole-2,5-dione
CID 58402351
(E)-N-[3-(diethylamino)-2-hydroxypropyl]-N-methylbut-2-enamide
CID 90245858
3-(2,5-dioxopyrrol-1-yl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 126589626
1-(2-hydroxyethyl)-4-methyl-2H-pyrrol-5-one
CID 130306243
2-Aminoethanol;1-(2-hydroxyethyl)-3-methylpyrrole-2,5-dione
CID 161263615
1-(2-Hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 61208098
1-(1-Hydroxypropan-2-yl)-3-methylpyrrole-2,5-dione
CID 61209450

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione (CID 19968753) is 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CC(O)CN2C(=O)C=C(C)C2=O)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione?
The InChIKey is QSGQCMFKGJJFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-7-3-10(17)14(12(7)19)5-9(16)6-15-11(18)4-8(2)13(15)20/h3-4,9,16H,5-6H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione?
1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione has a molecular weight of 278.26 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(3-methyl-2,5-dioxopyrrol-1-yl)propyl]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 19968753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).