1-anilino-1-methylurea

C8H11N3O — CID 57352183

IUPAC1-anilino-1-methylurea
SMILESCN(Nc1ccccc1)C(N)=O
InChIInChI=1S/C8H11N3O/c1-11(8(9)12)10-7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,12)
InChIKeyNWJIYBQHRFFCOY-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.02
Rot. Bonds2

About 1-anilino-1-methylurea

1-anilino-1-methylurea (PubChem CID 57352183) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-anilino-1-methylurea.

Molecular Properties

Compound Name1-anilino-1-methylurea
PubChem CID57352183
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-anilino-1-methylurea
SMILESCN(Nc1ccccc1)C(N)=O
InChIInChI=1S/C8H11N3O/c1-11(8(9)12)10-7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,12)
InChIKeyNWJIYBQHRFFCOY-UHFFFAOYSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.02
H-Bond Donors ≤ 52
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-anilino-1-methylurea?
The IUPAC name of 1-anilino-1-methylurea (CID 57352183) is 1-anilino-1-methylurea.
What is the SMILES notation for 1-anilino-1-methylurea?
The canonical SMILES for 1-anilino-1-methylurea is CN(Nc1ccccc1)C(N)=O.
What is the InChIKey of 1-anilino-1-methylurea?
The InChIKey is NWJIYBQHRFFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-11(8(9)12)10-7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,9,12).
What are the key properties of 1-anilino-1-methylurea?
1-anilino-1-methylurea has a molecular weight of 165.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-1-methylurea is sourced from PubChem (CID 57352183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).