1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea

C11H11N3O3 — CID 110462621

IUPAC1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
SMILESO=C1CC(NC(=O)Nc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11N3O3/c15-9-6-8(10(16)14-9)13-11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,13,17)(H,14,15,16)
InChIKeyLBIVUJUUYBYWJQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.22
Rot. Bonds2

About 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea

1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea (PubChem CID 110462621) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
PubChem CID110462621
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea
SMILESO=C1CC(NC(=O)Nc2ccccc2)C(=O)N1
InChIInChI=1S/C11H11N3O3/c15-9-6-8(10(16)14-9)13-11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,13,17)(H,14,15,16)
InChIKeyLBIVUJUUYBYWJQ-UHFFFAOYSA-N
XLogP0.22
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S)-2-oxothiolan-3-yl]-3-phenylurea
CID 40598347
N-(2,5-dioxopyrrolidin-3-yl)pyridine-2-carboxamide
CID 110461600
1-(azetidin-3-yl)-3-phenylurea
CID 66185847
N-(2,5-dioxopyrrolidin-3-yl)-4-hydroxybenzamide
CID 110462643
methyl N-(2,5-dioxopyrrolidin-3-yl)carbamate
CID 110459456
1-(2,5-dioxopyrrolidin-3-yl)-3-[4-(trifluoromethoxy)-1,3-benzothiazol-2-yl]urea
CID 166400047
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[(2,6-dioxopiperidin-3-yl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743728
benzyl 3-[(2,5-dioxopyrrolidin-3-yl)amino]but-2-enoate
CID 67343111
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-oxo-N-phenyl-3,4-dihydro-1H-quinoline-4-carboxamide
CID 17493174
ethyl N-[4-[[(3R)-2,6-dioxopiperidin-3-yl]carbamoylamino]phenyl]-N-methylcarbamate
CID 97253621

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea?
The IUPAC name of 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea (CID 110462621) is 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea is O=C1CC(NC(=O)Nc2ccccc2)C(=O)N1.
What is the InChIKey of 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea?
The InChIKey is LBIVUJUUYBYWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-9-6-8(10(16)14-9)13-11(17)12-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,12,13,17)(H,14,15,16).
What are the key properties of 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea?
1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea has a molecular weight of 233.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dioxopyrrolidin-3-yl)-3-phenylurea is sourced from PubChem (CID 110462621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).