2-cyclopentyl-4-nitroaniline

C11H14N2O2 — CID 68656772

IUPAC2-cyclopentyl-4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1C1CCCC1
InChIInChI=1S/C11H14N2O2/c12-11-6-5-9(13(14)15)7-10(11)8-3-1-2-4-8/h5-8H,1-4,12H2
InChIKeyRJEZUTAFTPBJPF-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.83
Rot. Bonds2

About 2-cyclopentyl-4-nitroaniline

2-cyclopentyl-4-nitroaniline (PubChem CID 68656772) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-cyclopentyl-4-nitroaniline.

Molecular Properties

Compound Name2-cyclopentyl-4-nitroaniline
PubChem CID68656772
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-cyclopentyl-4-nitroaniline
SMILESNc1ccc([N+](=O)[O-])cc1C1CCCC1
InChIInChI=1S/C11H14N2O2/c12-11-6-5-9(13(14)15)7-10(11)8-3-1-2-4-8/h5-8H,1-4,12H2
InChIKeyRJEZUTAFTPBJPF-UHFFFAOYSA-N
XLogP2.83
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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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3-cyclopentyl-1-methyl-5-nitroindole
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2-(cyclopentylsulfanylmethyl)-4-nitroaniline
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(3-nitrophenyl)cycloheptane
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2-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-5-nitroaniline
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2-(cyclohexylmethoxy)-5-nitroaniline
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1-N-cyclopropyl-4-nitrobenzene-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-nitroaniline?
The IUPAC name of 2-cyclopentyl-4-nitroaniline (CID 68656772) is 2-cyclopentyl-4-nitroaniline.
What is the SMILES notation for 2-cyclopentyl-4-nitroaniline?
The canonical SMILES for 2-cyclopentyl-4-nitroaniline is Nc1ccc([N+](=O)[O-])cc1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-nitroaniline?
The InChIKey is RJEZUTAFTPBJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-11-6-5-9(13(14)15)7-10(11)8-3-1-2-4-8/h5-8H,1-4,12H2.
What are the key properties of 2-cyclopentyl-4-nitroaniline?
2-cyclopentyl-4-nitroaniline has a molecular weight of 206.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-nitroaniline is sourced from PubChem (CID 68656772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).