[(Z)-1-(2-methylphenyl)propylideneamino]urea

C11H15N3O — CID 121218183

IUPAC[(Z)-1-(2-methylphenyl)propylideneamino]urea
SMILESCC/C(=N/NC(N)=O)c1ccccc1C
InChIInChI=1S/C11H15N3O/c1-3-10(13-14-11(12)15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H3,12,14,15)/b13-10-
InChIKeyZZYOEEQDPXIVFZ-RAXLEYEMSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds3

About [(Z)-1-(2-methylphenyl)propylideneamino]urea

[(Z)-1-(2-methylphenyl)propylideneamino]urea (PubChem CID 121218183) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [(Z)-1-(2-methylphenyl)propylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(2-methylphenyl)propylideneamino]urea
PubChem CID121218183
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[(Z)-1-(2-methylphenyl)propylideneamino]urea
SMILESCC/C(=N/NC(N)=O)c1ccccc1C
InChIInChI=1S/C11H15N3O/c1-3-10(13-14-11(12)15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H3,12,14,15)/b13-10-
InChIKeyZZYOEEQDPXIVFZ-RAXLEYEMSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
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-(2-methylphenyl)propylideneamino]urea?
The IUPAC name of [(Z)-1-(2-methylphenyl)propylideneamino]urea (CID 121218183) is [(Z)-1-(2-methylphenyl)propylideneamino]urea.
What is the SMILES notation for [(Z)-1-(2-methylphenyl)propylideneamino]urea?
The canonical SMILES for [(Z)-1-(2-methylphenyl)propylideneamino]urea is CC/C(=N/NC(N)=O)c1ccccc1C.
What is the InChIKey of [(Z)-1-(2-methylphenyl)propylideneamino]urea?
The InChIKey is ZZYOEEQDPXIVFZ-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-10(13-14-11(12)15)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3,(H3,12,14,15)/b13-10-.
What are the key properties of [(Z)-1-(2-methylphenyl)propylideneamino]urea?
[(Z)-1-(2-methylphenyl)propylideneamino]urea has a molecular weight of 205.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-methylphenyl)propylideneamino]urea is sourced from PubChem (CID 121218183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).