(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate

C10H9N3O5 — CID 13464302

IUPAC(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate
SMILESO=C1NCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O5/c14-9-11-5-6-12(9)10(15)18-8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14)
InChIKeyCEXYQTHIVKMMSO-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.12
Rot. Bonds2

About (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate

(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate (PubChem CID 13464302) has the molecular formula C10H9N3O5 and a molecular weight of 251.20 g/mol. Its IUPAC name is (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate
PubChem CID13464302
Molecular FormulaC10H9N3O5
Molecular Weight251.20 g/mol
Exact Mass251.05
IUPAC Name(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate
SMILESO=C1NCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H9N3O5/c14-9-11-5-6-12(9)10(15)18-8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14)
InChIKeyCEXYQTHIVKMMSO-UHFFFAOYSA-N
XLogP1.12
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

(4-nitrophenyl) thiomorpholine-4-carboxylate
CID 58116495
(4-nitrophenyl) morpholine-4-carboxylate
CID 735624
(4-nitrophenyl) 3,5-dimethylpiperidine-1-carboxylate
CID 134299800
(4-nitrophenyl) 3-fluoroazetidine-1-carboxylate
CID 165117552
(4-nitrophenyl) (2S)-2-(4-fluorophenyl)pyrrolidine-1-carboxylate
CID 176905756
(2S)-1-(4-nitrophenoxy)carbonylpyrrolidine-2-carboxylic acid
CID 67520815
(4-nitrophenyl) 4-phenylpiperazine-1-carboxylate
CID 59594481
sodium (4-nitrophenyl) carbonate
CID 172808838
(4-nitrophenyl) 3-morpholin-4-ylazetidine-1-carboxylate
CID 175471409
(4-nitrophenyl) 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 59047422
phenyl 2-sulfanylideneimidazolidine-1-carboxylate
CID 139667776
1-[2-(2-methyl-5-nitroanilino)acetyl]imidazolidin-2-one
CID 26506200

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate?
The IUPAC name of (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate (CID 13464302) is (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate.
What is the SMILES notation for (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate?
The canonical SMILES for (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate is O=C1NCCN1C(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate?
The InChIKey is CEXYQTHIVKMMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O5/c14-9-11-5-6-12(9)10(15)18-8-3-1-7(2-4-8)13(16)17/h1-4H,5-6H2,(H,11,14).
What are the key properties of (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate?
(4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate has a molecular weight of 251.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 2-oxoimidazolidine-1-carboxylate is sourced from PubChem (CID 13464302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).