[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea

C11H11N3O3 — CID 57193748

IUPAC[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(C2C(=O)CNC2=O)c1
InChIInChI=1S/C11H11N3O3/c12-11(17)14-7-3-1-2-6(4-7)9-8(15)5-13-10(9)16/h1-4,9H,5H2,(H,13,16)(H3,12,14,17)
InChIKeyJKFFVQQDNAHXCE-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.04
Rot. Bonds2

About [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea

[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea (PubChem CID 57193748) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea.

Molecular Properties

Compound Name[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea
PubChem CID57193748
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea
SMILESNC(=O)Nc1cccc(C2C(=O)CNC2=O)c1
InChIInChI=1S/C11H11N3O3/c12-11(17)14-7-3-1-2-6(4-7)9-8(15)5-13-10(9)16/h1-4,9H,5H2,(H,13,16)(H3,12,14,17)
InChIKeyJKFFVQQDNAHXCE-UHFFFAOYSA-N
XLogP-0.04
TPSA101.29 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 ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-N-[3-(carbamoylamino)phenyl]propanamide
CID 116675705
[3-(chloroamino)phenyl]urea
CID 155328094
[3-(methylamino)phenyl]urea
CID 23558981
[3-(1-cyclopropylethylamino)phenyl]urea
CID 43744613
2-amino-N-[3-(carbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 64822966
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-(carbamoylamino)-N-(4-fluorophenyl)benzamide
CID 8744972
N-[4-(carbamoylamino)phenyl]-3-(cyclopropanecarbonylamino)benzamide
CID 33151643
N-[3-(carbamoylamino)phenyl]-2-(cyclopropylamino)acetamide
CID 60843404
2,5-dibromo-N-[3-(carbamoylamino)phenyl]benzamide
CID 114371284
1,3-bis[3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)phenyl]urea
CID 87760393
[3-(1H-imidazol-2-ylmethylamino)phenyl]urea
CID 54976227

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea?
The IUPAC name of [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea (CID 57193748) is [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea.
What is the SMILES notation for [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea?
The canonical SMILES for [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea is NC(=O)Nc1cccc(C2C(=O)CNC2=O)c1.
What is the InChIKey of [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea?
The InChIKey is JKFFVQQDNAHXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-11(17)14-7-3-1-2-6(4-7)9-8(15)5-13-10(9)16/h1-4,9H,5H2,(H,13,16)(H3,12,14,17).
What are the key properties of [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea?
[3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea has a molecular weight of 233.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-dioxopyrrolidin-3-yl)phenyl]urea is sourced from PubChem (CID 57193748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).