1-phenylmethoxy-1-prop-2-enylurea

C11H14N2O2 — CID 147777331

IUPAC1-phenylmethoxy-1-prop-2-enylurea
SMILESC=CCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2/c1-2-8-13(11(12)14)15-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,14)
InChIKeyHHCLBXJRSGOOSP-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.68
Rot. Bonds5

About 1-phenylmethoxy-1-prop-2-enylurea

1-phenylmethoxy-1-prop-2-enylurea (PubChem CID 147777331) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-phenylmethoxy-1-prop-2-enylurea.

Molecular Properties

Compound Name1-phenylmethoxy-1-prop-2-enylurea
PubChem CID147777331
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-phenylmethoxy-1-prop-2-enylurea
SMILESC=CCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C11H14N2O2/c1-2-8-13(11(12)14)15-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,14)
InChIKeyHHCLBXJRSGOOSP-UHFFFAOYSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-phenylmethoxy-1-prop-2-enylurea?
The IUPAC name of 1-phenylmethoxy-1-prop-2-enylurea (CID 147777331) is 1-phenylmethoxy-1-prop-2-enylurea.
What is the SMILES notation for 1-phenylmethoxy-1-prop-2-enylurea?
The canonical SMILES for 1-phenylmethoxy-1-prop-2-enylurea is C=CCN(OCc1ccccc1)C(N)=O.
What is the InChIKey of 1-phenylmethoxy-1-prop-2-enylurea?
The InChIKey is HHCLBXJRSGOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-8-13(11(12)14)15-9-10-6-4-3-5-7-10/h2-7H,1,8-9H2,(H2,12,14).
What are the key properties of 1-phenylmethoxy-1-prop-2-enylurea?
1-phenylmethoxy-1-prop-2-enylurea has a molecular weight of 206.25 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-1-prop-2-enylurea is sourced from PubChem (CID 147777331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).