5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride

C9H7ClN2O5 — CID 162329662

IUPAC5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C9H6N2O5.ClH/c12-8-7(16-9(13)10-8)5-3-1-2-4-6(5)11(14)15;/h1-4,7H,(H,10,12,13);1H
InChIKeyYJVPRLJLMRCSNC-UHFFFAOYSA-N
MW258.62 g/mol
LogP1.32
Rot. Bonds2

About 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride

5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 162329662) has the molecular formula C9H7ClN2O5 and a molecular weight of 258.62 g/mol. Its IUPAC name is 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID162329662
Molecular FormulaC9H7ClN2O5
Molecular Weight258.62 g/mol
Exact Mass258.00
IUPAC Name5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])O1
InChIInChI=1S/C9H6N2O5.ClH/c12-8-7(16-9(13)10-8)5-3-1-2-4-6(5)11(14)15;/h1-4,7H,(H,10,12,13);1H
InChIKeyYJVPRLJLMRCSNC-UHFFFAOYSA-N
XLogP1.32
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.62
LogP ≤ 51.32
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

(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
2-(2-nitrophenyl)-1,3-dioxane-4,6-dione
CID 166773370
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
(4S)-5,5-dimethyl-4-(2-nitrophenyl)-1,3-oxazinan-2-one
CID 171186092
1-(2-nitrophenyl)-1,4-dihydro-2,3λ4-benzoxathiine 3-oxide
CID 102192592
5-[(2-nitrophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 4117238
(2S,3R)-3-(2-nitrophenyl)oxirane-2-carboxamide
CID 125497488
5-ethyl-6-(2-nitrophenyl)-1,3-thiazinane-2,4-dione
CID 3057296
3-(2-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 175793938
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213

Frequently Asked Questions

What is the IUPAC name of 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride (CID 162329662) is 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])O1.
What is the InChIKey of 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is YJVPRLJLMRCSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O5.ClH/c12-8-7(16-9(13)10-8)5-3-1-2-4-6(5)11(14)15;/h1-4,7H,(H,10,12,13);1H.
What are the key properties of 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride?
5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 258.62 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-nitrophenyl)-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 162329662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).