[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea

C12H15N3O3 — CID 6053247

IUPAC[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea
SMILESC=CCOc1c(/C=N\NC(N)=O)cccc1OC
InChIInChI=1S/C12H15N3O3/c1-3-7-18-11-9(8-14-15-12(13)16)5-4-6-10(11)17-2/h3-6,8H,1,7H2,2H3,(H3,13,15,16)/b14-8-
InChIKeyQHZSAFXFYFNVJW-ZSOIEALJSA-N
MW249.27 g/mol
LogP1.26
Rot. Bonds6

About [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea

[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea (PubChem CID 6053247) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea
PubChem CID6053247
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea
SMILESC=CCOc1c(/C=N\NC(N)=O)cccc1OC
InChIInChI=1S/C12H15N3O3/c1-3-7-18-11-9(8-14-15-12(13)16)5-4-6-10(11)17-2/h3-6,8H,1,7H2,2H3,(H3,13,15,16)/b14-8-
InChIKeyQHZSAFXFYFNVJW-ZSOIEALJSA-N
XLogP1.26
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea (CID 6053247) is [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea is C=CCOc1c(/C=N\NC(N)=O)cccc1OC.
What is the InChIKey of [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea?
The InChIKey is QHZSAFXFYFNVJW-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-7-18-11-9(8-14-15-12(13)16)5-4-6-10(11)17-2/h3-6,8H,1,7H2,2H3,(H3,13,15,16)/b14-8-.
What are the key properties of [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea?
[(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea has a molecular weight of 249.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3-methoxy-2-prop-2-enoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 6053247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).