1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea

C19H19N3O2 — CID 2486703

IUPAC1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)NC1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)21-22-19(24)20-13-8-2-1-3-9-13/h4-7,10-11,13H,1-3,8-9H2,(H2,20,22,24)
InChIKeyWIEBQMPMQBCCNN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds2

About 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea

1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea (PubChem CID 2486703) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea
PubChem CID2486703
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea
SMILESO=C(NN=C1C(=O)c2cccc3cccc1c23)NC1CCCCC1
InChIInChI=1S/C19H19N3O2/c23-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)21-22-19(24)20-13-8-2-1-3-9-13/h4-7,10-11,13H,1-3,8-9H2,(H2,20,22,24)
InChIKeyWIEBQMPMQBCCNN-UHFFFAOYSA-N
XLogP3.37
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea (CID 2486703) is 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea is O=C(NN=C1C(=O)c2cccc3cccc1c23)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea?
The InChIKey is WIEBQMPMQBCCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-15-11-5-7-12-6-4-10-14(16(12)15)17(18)21-22-19(24)20-13-8-2-1-3-9-13/h4-7,10-11,13H,1-3,8-9H2,(H2,20,22,24).
What are the key properties of 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea?
1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea has a molecular weight of 321.38 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-oxoacenaphthylen-1-ylidene)amino]urea is sourced from PubChem (CID 2486703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).