1-(cyclopenten-1-yl)-2-nitrobenzene

C11H11NO2 — CID 86242284

IUPAC1-(cyclopenten-1-yl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1C1=CCCC1
InChIInChI=1S/C11H11NO2/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-5,7-8H,1-2,6H2
InChIKeyWMUSXDBGJXRKJF-UHFFFAOYSA-N
MW189.21 g/mol
LogP3.16
Rot. Bonds2

About 1-(cyclopenten-1-yl)-2-nitrobenzene

1-(cyclopenten-1-yl)-2-nitrobenzene (PubChem CID 86242284) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(cyclopenten-1-yl)-2-nitrobenzene.

Molecular Properties

Compound Name1-(cyclopenten-1-yl)-2-nitrobenzene
PubChem CID86242284
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(cyclopenten-1-yl)-2-nitrobenzene
SMILESO=[N+]([O-])c1ccccc1C1=CCCC1
InChIInChI=1S/C11H11NO2/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-5,7-8H,1-2,6H2
InChIKeyWMUSXDBGJXRKJF-UHFFFAOYSA-N
XLogP3.16
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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6-(cyclopenten-1-yl)-5-nitro-N-propylpyridin-2-amine
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N'-[3-(cyclohexen-1-yl)-4-nitrophenyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 163628535
6-methyl-2-(2-nitrophenyl)cyclohex-2-en-1-one
CID 11195603
2-(cyclopenten-1-yl)-N-[(2-nitrophenyl)methyl]ethanamine
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1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
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CID 163365912

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopenten-1-yl)-2-nitrobenzene?
The IUPAC name of 1-(cyclopenten-1-yl)-2-nitrobenzene (CID 86242284) is 1-(cyclopenten-1-yl)-2-nitrobenzene.
What is the SMILES notation for 1-(cyclopenten-1-yl)-2-nitrobenzene?
The canonical SMILES for 1-(cyclopenten-1-yl)-2-nitrobenzene is O=[N+]([O-])c1ccccc1C1=CCCC1.
What is the InChIKey of 1-(cyclopenten-1-yl)-2-nitrobenzene?
The InChIKey is WMUSXDBGJXRKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-12(14)11-8-4-3-7-10(11)9-5-1-2-6-9/h3-5,7-8H,1-2,6H2.
What are the key properties of 1-(cyclopenten-1-yl)-2-nitrobenzene?
1-(cyclopenten-1-yl)-2-nitrobenzene has a molecular weight of 189.21 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopenten-1-yl)-2-nitrobenzene is sourced from PubChem (CID 86242284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).