(1-phenylethylideneamino)urea

C9H11N3O — CID 17229

IUPAC(1-phenylethylideneamino)urea
SMILESCC(=NNC(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)
InChIKeyCPXYGYOMIMOSCX-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.08
Rot. Bonds2

About (1-phenylethylideneamino)urea

(1-phenylethylideneamino)urea (PubChem CID 17229) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (1-phenylethylideneamino)urea.

Molecular Properties

Compound Name(1-phenylethylideneamino)urea
PubChem CID17229
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(1-phenylethylideneamino)urea
SMILESCC(=NNC(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)
InChIKeyCPXYGYOMIMOSCX-UHFFFAOYSA-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 (1-phenylethylideneamino)urea?
The IUPAC name of (1-phenylethylideneamino)urea (CID 17229) is (1-phenylethylideneamino)urea.
What is the SMILES notation for (1-phenylethylideneamino)urea?
The canonical SMILES for (1-phenylethylideneamino)urea is CC(=NNC(N)=O)c1ccccc1.
What is the InChIKey of (1-phenylethylideneamino)urea?
The InChIKey is CPXYGYOMIMOSCX-UHFFFAOYSA-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).
What are the key properties of (1-phenylethylideneamino)urea?
(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 (1-phenylethylideneamino)urea is sourced from PubChem (CID 17229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).