2-benzofuran-1,3-dione;urea

C9H8N2O4 — CID 87353578

IUPAC2-benzofuran-1,3-dione;urea
SMILESNC(N)=O.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.CH4N2O/c9-7-5-3-1-2-4-6(5)8(10)11-7;2-1(3)4/h1-4H;(H4,2,3,4)
InChIKeyHCXVRWNMKLEOKO-UHFFFAOYSA-N
MW208.17 g/mol
LogP0.02
Rot. Bonds

About 2-benzofuran-1,3-dione;urea

2-benzofuran-1,3-dione;urea (PubChem CID 87353578) has the molecular formula C9H8N2O4 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;urea.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;urea
PubChem CID87353578
Molecular FormulaC9H8N2O4
Molecular Weight208.17 g/mol
Exact Mass208.05
IUPAC Name2-benzofuran-1,3-dione;urea
SMILESNC(N)=O.O=C1OC(=O)c2ccccc21
InChIInChI=1S/C8H4O3.CH4N2O/c9-7-5-3-1-2-4-6(5)8(10)11-7;2-1(3)4/h1-4H;(H4,2,3,4)
InChIKeyHCXVRWNMKLEOKO-UHFFFAOYSA-N
XLogP0.02
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
bis(2-benzofuran-1,3-dione);ethane
CID 143680396
2-benzofuran-1,3-dione;ethane;molecular iodine
CID 160781594
CID 87935990
CID 87935990
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;2-benzofuran-1,3-dione
CID 174884413
benzene;bis(2-benzofuran-1,3-dione);propane
CID 157076955
2-benzofuran-1,3-dione;ethane;propane
CID 91608967
benzene;2-benzofuran-1,3-dione;ethane;propane
CID 158385205
4-methylideneisochromene-1,3-dione
CID 134863782
azane;2-benzofuran-1,3-dione;butane
CID 173276940
2-benzofuran-1,3-dione;ethane;methane;propane
CID 159420512

Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1,3-dione;urea?
The IUPAC name of 2-benzofuran-1,3-dione;urea (CID 87353578) is 2-benzofuran-1,3-dione;urea.
What is the SMILES notation for 2-benzofuran-1,3-dione;urea?
The canonical SMILES for 2-benzofuran-1,3-dione;urea is NC(N)=O.O=C1OC(=O)c2ccccc21.
What is the InChIKey of 2-benzofuran-1,3-dione;urea?
The InChIKey is HCXVRWNMKLEOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4O3.CH4N2O/c9-7-5-3-1-2-4-6(5)8(10)11-7;2-1(3)4/h1-4H;(H4,2,3,4).
What are the key properties of 2-benzofuran-1,3-dione;urea?
2-benzofuran-1,3-dione;urea has a molecular weight of 208.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;urea is sourced from PubChem (CID 87353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).