5-(2-chloro-5-nitrophenyl)oxolan-2-one

C10H8ClNO4 — CID 90237929

IUPAC5-(2-chloro-5-nitrophenyl)oxolan-2-one
SMILESO=C1CCC(c2cc([N+](=O)[O-])ccc2Cl)O1
InChIInChI=1S/C10H8ClNO4/c11-8-2-1-6(12(14)15)5-7(8)9-3-4-10(13)16-9/h1-2,5,9H,3-4H2
InChIKeyFNTDUMYXIRGUPV-UHFFFAOYSA-N
MW241.63 g/mol
LogP2.63
Rot. Bonds2

About 5-(2-chloro-5-nitrophenyl)oxolan-2-one

5-(2-chloro-5-nitrophenyl)oxolan-2-one (PubChem CID 90237929) has the molecular formula C10H8ClNO4 and a molecular weight of 241.63 g/mol. Its IUPAC name is 5-(2-chloro-5-nitrophenyl)oxolan-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-nitrophenyl)oxolan-2-one
PubChem CID90237929
Molecular FormulaC10H8ClNO4
Molecular Weight241.63 g/mol
Exact Mass241.01
IUPAC Name5-(2-chloro-5-nitrophenyl)oxolan-2-one
SMILESO=C1CCC(c2cc([N+](=O)[O-])ccc2Cl)O1
InChIInChI=1S/C10H8ClNO4/c11-8-2-1-6(12(14)15)5-7(8)9-3-4-10(13)16-9/h1-2,5,9H,3-4H2
InChIKeyFNTDUMYXIRGUPV-UHFFFAOYSA-N
XLogP2.63
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-chloro-5-nitrophenyl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(2-chloro-5-nitrophenyl)pyrrolidin-2-one
CID 129411077
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134
(4S)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185722
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
(3R)-3-(2-chloro-4-nitrophenyl)cyclopentan-1-one
CID 100914193
4-nitro-12-thiatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 91132080
9-(2-chloro-5-nitrophenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-3H-furo[3,4-b]quinoline-1,8-dione
CID 11843771
7-nitro-3,3a-dihydro-2H-cyclopenta[b]chromen-1-one
CID 86032903
1,3-dichloro-2-fluorobenzene;1,2-dichloro-4-nitrobenzene
CID 141059072
aniline;1,2-dichloro-4-nitrobenzene
CID 86084076
5-(3-chloro-4-hydroxyphenyl)oxolan-2-one
CID 103439861
(3aS,4R,9bR)-4-(2-chloro-5-nitrophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 7433678

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-nitrophenyl)oxolan-2-one?
The IUPAC name of 5-(2-chloro-5-nitrophenyl)oxolan-2-one (CID 90237929) is 5-(2-chloro-5-nitrophenyl)oxolan-2-one.
What is the SMILES notation for 5-(2-chloro-5-nitrophenyl)oxolan-2-one?
The canonical SMILES for 5-(2-chloro-5-nitrophenyl)oxolan-2-one is O=C1CCC(c2cc([N+](=O)[O-])ccc2Cl)O1.
What is the InChIKey of 5-(2-chloro-5-nitrophenyl)oxolan-2-one?
The InChIKey is FNTDUMYXIRGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4/c11-8-2-1-6(12(14)15)5-7(8)9-3-4-10(13)16-9/h1-2,5,9H,3-4H2.
What are the key properties of 5-(2-chloro-5-nitrophenyl)oxolan-2-one?
5-(2-chloro-5-nitrophenyl)oxolan-2-one has a molecular weight of 241.63 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-nitrophenyl)oxolan-2-one is sourced from PubChem (CID 90237929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).