[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea

C13H9N3O2 — CID 6042885

IUPAC[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea
SMILESNC(=O)N/N=C1\C(=O)c2cccc3cccc1c23
InChIInChI=1S/C13H9N3O2/c14-13(18)16-15-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)17/h1-6H,(H3,14,16,18)/b15-11-
InChIKeyNOBUQYNQKFLBQV-PTNGSMBKSA-N
MW239.23 g/mol
LogP1.41
Rot. Bonds1

About [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea

[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea (PubChem CID 6042885) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea
PubChem CID6042885
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea
SMILESNC(=O)N/N=C1\C(=O)c2cccc3cccc1c23
InChIInChI=1S/C13H9N3O2/c14-13(18)16-15-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)17/h1-6H,(H3,14,16,18)/b15-11-
InChIKeyNOBUQYNQKFLBQV-PTNGSMBKSA-N
XLogP1.41
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea?
The IUPAC name of [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea (CID 6042885) is [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea.
What is the SMILES notation for [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea?
The canonical SMILES for [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea is NC(=O)N/N=C1\C(=O)c2cccc3cccc1c23.
What is the InChIKey of [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea?
The InChIKey is NOBUQYNQKFLBQV-PTNGSMBKSA-N. The full InChI is InChI=1S/C13H9N3O2/c14-13(18)16-15-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)17/h1-6H,(H3,14,16,18)/b15-11-.
What are the key properties of [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea?
[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea has a molecular weight of 239.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-oxoacenaphthylen-1-ylidene)amino]urea is sourced from PubChem (CID 6042885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).