2-methyl-1-nitroso-5-phenylimidazolidin-4-one

C10H11N3O2 — CID 54313592

IUPAC2-methyl-1-nitroso-5-phenylimidazolidin-4-one
SMILESCC1NC(=O)C(c2ccccc2)N1N=O
InChIInChI=1S/C10H11N3O2/c1-7-11-10(14)9(13(7)12-15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,14)
InChIKeyWGGPTHJMMUKLMX-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-1-nitroso-5-phenylimidazolidin-4-one

2-methyl-1-nitroso-5-phenylimidazolidin-4-one (PubChem CID 54313592) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-methyl-1-nitroso-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-1-nitroso-5-phenylimidazolidin-4-one
PubChem CID54313592
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-methyl-1-nitroso-5-phenylimidazolidin-4-one
SMILESCC1NC(=O)C(c2ccccc2)N1N=O
InChIInChI=1S/C10H11N3O2/c1-7-11-10(14)9(13(7)12-15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,14)
InChIKeyWGGPTHJMMUKLMX-UHFFFAOYSA-N
XLogP1.19
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-nitroso-5-phenylimidazolidin-4-one?
The IUPAC name of 2-methyl-1-nitroso-5-phenylimidazolidin-4-one (CID 54313592) is 2-methyl-1-nitroso-5-phenylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-1-nitroso-5-phenylimidazolidin-4-one?
The canonical SMILES for 2-methyl-1-nitroso-5-phenylimidazolidin-4-one is CC1NC(=O)C(c2ccccc2)N1N=O.
What is the InChIKey of 2-methyl-1-nitroso-5-phenylimidazolidin-4-one?
The InChIKey is WGGPTHJMMUKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7-11-10(14)9(13(7)12-15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,11,14).
What are the key properties of 2-methyl-1-nitroso-5-phenylimidazolidin-4-one?
2-methyl-1-nitroso-5-phenylimidazolidin-4-one has a molecular weight of 205.22 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-nitroso-5-phenylimidazolidin-4-one is sourced from PubChem (CID 54313592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).