[(Z)-1-phenylethylideneamino]urea

C9H11N3O — CID 5371921

IUPAC[(Z)-1-phenylethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7-
InChIKeyCPXYGYOMIMOSCX-XFFZJAGNSA-N
MW177.21 g/mol
LogP1.08
Rot. Bonds2

About [(Z)-1-phenylethylideneamino]urea

[(Z)-1-phenylethylideneamino]urea (PubChem CID 5371921) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is [(Z)-1-phenylethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-phenylethylideneamino]urea
PubChem CID5371921
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name[(Z)-1-phenylethylideneamino]urea
SMILESC/C(=N/NC(N)=O)c1ccccc1
InChIInChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7-
InChIKeyCPXYGYOMIMOSCX-XFFZJAGNSA-N
XLogP1.08
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-1-phenylethylideneamino]urea?
The IUPAC name of [(Z)-1-phenylethylideneamino]urea (CID 5371921) is [(Z)-1-phenylethylideneamino]urea.
What is the SMILES notation for [(Z)-1-phenylethylideneamino]urea?
The canonical SMILES for [(Z)-1-phenylethylideneamino]urea is C/C(=N/NC(N)=O)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylethylideneamino]urea?
The InChIKey is CPXYGYOMIMOSCX-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-6H,1H3,(H3,10,12,13)/b11-7-.
What are the key properties of [(Z)-1-phenylethylideneamino]urea?
[(Z)-1-phenylethylideneamino]urea has a molecular weight of 177.21 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylethylideneamino]urea is sourced from PubChem (CID 5371921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).