1-[(2-nitrophenyl)methyl]imidazolidin-2-one

C10H11N3O3 — CID 71758327

IUPAC1-[(2-nitrophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c14-10-11-5-6-12(10)7-8-3-1-2-4-9(8)13(15)16/h1-4H,5-7H2,(H,11,14)
InChIKeyPGKCZESBFBSIFE-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.12
Rot. Bonds3

About 1-[(2-nitrophenyl)methyl]imidazolidin-2-one

1-[(2-nitrophenyl)methyl]imidazolidin-2-one (PubChem CID 71758327) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[(2-nitrophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-nitrophenyl)methyl]imidazolidin-2-one
PubChem CID71758327
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name1-[(2-nitrophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O3/c14-10-11-5-6-12(10)7-8-3-1-2-4-9(8)13(15)16/h1-4H,5-7H2,(H,11,14)
InChIKeyPGKCZESBFBSIFE-UHFFFAOYSA-N
XLogP1.12
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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-[(2-nitrophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2-nitrophenyl)methyl]imidazolidin-2-one (CID 71758327) is 1-[(2-nitrophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-nitrophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-nitrophenyl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-[(2-nitrophenyl)methyl]imidazolidin-2-one?
The InChIKey is PGKCZESBFBSIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c14-10-11-5-6-12(10)7-8-3-1-2-4-9(8)13(15)16/h1-4H,5-7H2,(H,11,14).
What are the key properties of 1-[(2-nitrophenyl)methyl]imidazolidin-2-one?
1-[(2-nitrophenyl)methyl]imidazolidin-2-one has a molecular weight of 221.22 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-nitrophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 71758327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).