1-methoxy-1-phenylurea

C8H10N2O2 — CID 15620442

IUPAC1-methoxy-1-phenylurea
SMILESCON(C(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c1-12-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyBZUZZQAYHNRJPW-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.13
Rot. Bonds2

About 1-methoxy-1-phenylurea

1-methoxy-1-phenylurea (PubChem CID 15620442) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-methoxy-1-phenylurea.

Molecular Properties

Compound Name1-methoxy-1-phenylurea
PubChem CID15620442
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-methoxy-1-phenylurea
SMILESCON(C(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c1-12-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyBZUZZQAYHNRJPW-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1-phenylurea?
The IUPAC name of 1-methoxy-1-phenylurea (CID 15620442) is 1-methoxy-1-phenylurea.
What is the SMILES notation for 1-methoxy-1-phenylurea?
The canonical SMILES for 1-methoxy-1-phenylurea is CON(C(N)=O)c1ccccc1.
What is the InChIKey of 1-methoxy-1-phenylurea?
The InChIKey is BZUZZQAYHNRJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-12-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11).
What are the key properties of 1-methoxy-1-phenylurea?
1-methoxy-1-phenylurea has a molecular weight of 166.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1-phenylurea is sourced from PubChem (CID 15620442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).