[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate

C12H11NO6 — CID 2373957

IUPAC[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CCOC1=O
InChIInChI=1S/C12H11NO6/c14-11(19-10-5-6-18-12(10)15)7-8-3-1-2-4-9(8)13(16)17/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyYIQZEVCNVMOBTC-JTQLQIEISA-N
MW265.22 g/mol
LogP1.00
Rot. Bonds4

About [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate

[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate (PubChem CID 2373957) has the molecular formula C12H11NO6 and a molecular weight of 265.22 g/mol. Its IUPAC name is [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate.

Molecular Properties

Compound Name[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate
PubChem CID2373957
Molecular FormulaC12H11NO6
Molecular Weight265.22 g/mol
Exact Mass265.06
IUPAC Name[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate
SMILESO=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CCOC1=O
InChIInChI=1S/C12H11NO6/c14-11(19-10-5-6-18-12(10)15)7-8-3-1-2-4-9(8)13(16)17/h1-4,10H,5-7H2/t10-/m0/s1
InChIKeyYIQZEVCNVMOBTC-JTQLQIEISA-N
XLogP1.00
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[(3R)-2-oxooxolan-3-yl] 2-methyl-3-nitrobenzoate
CID 2361800
ethane;3-(2-nitrophenoxy)oxolan-2-one
CID 91158220
[(3R)-2-oxooxolan-3-yl] 2-(4-chlorophenyl)acetate
CID 8896967
9H-fluoren-9-yl 2-(2-nitrophenyl)acetate
CID 7832953
fluoro 2-(2-nitrophenyl)acetate
CID 174655979
methyl 2-(2-nitrophenyl)acetate
CID 520464
[(3R)-2-oxooxolan-3-yl] 4-methylsulfanyl-3-nitrobenzoate
CID 7678593
[(3S)-2-oxooxolan-3-yl] 4-amino-3-nitrobenzoate
CID 7765649
[(3S)-2-oxooxolan-3-yl] 4-bromo-3-nitrobenzoate
CID 7363318
1-cyclopropyl-2-(2-nitrophenyl)ethanone
CID 61055692
[(3R)-2-oxooxolan-3-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 7594952
[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
CID 8608213

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate?
The IUPAC name of [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate (CID 2373957) is [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate.
What is the SMILES notation for [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate?
The canonical SMILES for [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate is O=C(Cc1ccccc1[N+](=O)[O-])O[C@H]1CCOC1=O.
What is the InChIKey of [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate?
The InChIKey is YIQZEVCNVMOBTC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H11NO6/c14-11(19-10-5-6-18-12(10)15)7-8-3-1-2-4-9(8)13(16)17/h1-4,10H,5-7H2/t10-/m0/s1.
What are the key properties of [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate?
[(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate has a molecular weight of 265.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxooxolan-3-yl] 2-(2-nitrophenyl)acetate is sourced from PubChem (CID 2373957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).