[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea

C11H13N3O — CID 54228686

IUPAC[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
SMILESC/N=C(\C=Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H13N3O/c1-13-10(14-11(12)15)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H3,12,13,14,15)
InChIKeyQHQZEPZWKOZPHH-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.40
Rot. Bonds2

About [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea

[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea (PubChem CID 54228686) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea.

Molecular Properties

Compound Name[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
PubChem CID54228686
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea
SMILESC/N=C(\C=Cc1ccccc1)NC(N)=O
InChIInChI=1S/C11H13N3O/c1-13-10(14-11(12)15)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H3,12,13,14,15)
InChIKeyQHQZEPZWKOZPHH-UHFFFAOYSA-N
XLogP1.40
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea?
The IUPAC name of [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea (CID 54228686) is [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea.
What is the SMILES notation for [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea?
The canonical SMILES for [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea is C/N=C(\C=Cc1ccccc1)NC(N)=O.
What is the InChIKey of [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea?
The InChIKey is QHQZEPZWKOZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-10(14-11(12)15)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H3,12,13,14,15).
What are the key properties of [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea?
[N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea has a molecular weight of 203.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N-methyl-C-(2-phenylethenyl)carbonimidoyl]urea is sourced from PubChem (CID 54228686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).