4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one

C11H9NO4 — CID 86243646

IUPAC4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO4/c13-9-5-10(11(14)6-9)7-1-3-8(4-2-7)12(15)16/h1-5,9,13H,6H2
InChIKeyHSWIZXVSQDKYHM-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.31
Rot. Bonds2

About 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one

4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one (PubChem CID 86243646) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one
PubChem CID86243646
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one
SMILESO=C1CC(O)C=C1c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO4/c13-9-5-10(11(14)6-9)7-1-3-8(4-2-7)12(15)16/h1-5,9,13H,6H2
InChIKeyHSWIZXVSQDKYHM-UHFFFAOYSA-N
XLogP1.31
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
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'}

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Related Compounds

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CID 174946488
1-nitro-4-(4-nitrophenyl)benzene;piperazine
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CID 53426303
1-methyl-4-nitrobenzene;molecular nitrogen
CID 175124528
4-methylphenol;4-nitrophenol
CID 68529378
ethanol;1-methyl-4-nitrobenzene
CID 91088173
3-hydroxy-4-(4-nitrophenyl)cyclobut-3-ene-1,2-dione
CID 10466000
4-nitrophenol
CID 88714583
1,4-dinitrobenzene;nitrous acid
CID 174371180
(1R,2S,6S,7R,8S,9S)-8,9-dibromo-4-[4-(4-nitrophenyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98277845
1-[(Z)-1,2-dibromo-2-(4-nitrophenyl)ethenyl]-4-nitrobenzene
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4-(4-nitrophenyl)azetidin-2-one
CID 55255418

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one (CID 86243646) is 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one is O=C1CC(O)C=C1c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one?
The InChIKey is HSWIZXVSQDKYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-9-5-10(11(14)6-9)7-1-3-8(4-2-7)12(15)16/h1-5,9,13H,6H2.
What are the key properties of 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one?
4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one has a molecular weight of 219.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-nitrophenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 86243646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).