[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea

C7H9N3O3 — CID 6392667

IUPAC[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea
SMILESCC1C(=O)C/C(=N/NC(N)=O)C1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(11)2-4(6(3)12)9-10-7(8)13/h3H,2H2,1H3,(H3,8,10,13)/b9-4-
InChIKeyHQZUDTSXTQELHB-WTKPLQERSA-N
MW183.17 g/mol
LogP-0.81
Rot. Bonds1

About [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea

[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea (PubChem CID 6392667) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea
PubChem CID6392667
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea
SMILESCC1C(=O)C/C(=N/NC(N)=O)C1=O
InChIInChI=1S/C7H9N3O3/c1-3-5(11)2-4(6(3)12)9-10-7(8)13/h3H,2H2,1H3,(H3,8,10,13)/b9-4-
InChIKeyHQZUDTSXTQELHB-WTKPLQERSA-N
XLogP-0.81
TPSA101.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea?
The IUPAC name of [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea (CID 6392667) is [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea.
What is the SMILES notation for [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea?
The canonical SMILES for [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea is CC1C(=O)C/C(=N/NC(N)=O)C1=O.
What is the InChIKey of [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea?
The InChIKey is HQZUDTSXTQELHB-WTKPLQERSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3-5(11)2-4(6(3)12)9-10-7(8)13/h3H,2H2,1H3,(H3,8,10,13)/b9-4-.
What are the key properties of [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea?
[(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea has a molecular weight of 183.17 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methyl-2,4-dioxocyclopentylidene)amino]urea is sourced from PubChem (CID 6392667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).