N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline

C13H16N2O2 — CID 103844182

IUPACN-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCC2=CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)13-7-5-12(6-8-13)14-10-9-11-3-1-2-4-11/h3,5-8,14H,1-2,4,9-10H2
InChIKeyOUMDEHOSDZFXAB-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.51
Rot. Bonds5

About N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline

N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline (PubChem CID 103844182) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
PubChem CID103844182
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCC2=CCCC2)cc1
InChIInChI=1S/C13H16N2O2/c16-15(17)13-7-5-12(6-8-13)14-10-9-11-3-1-2-4-11/h3,5-8,14H,1-2,4,9-10H2
InChIKeyOUMDEHOSDZFXAB-UHFFFAOYSA-N
XLogP3.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
2-(cyclohexen-1-yl)-N-[(4-nitrophenyl)methyl]ethanamine;hydrochloride
CID 17206798
4-[2-(cyclopenten-1-yl)ethylamino]-2-nitrobenzoic acid
CID 106177272
N-[2-(cyclopenten-1-yl)ethyl]-3-fluoro-2-nitroaniline
CID 103844216
N-[2-(cyclopenten-1-yl)ethyl]-6-nitro-1,3-benzoxazol-2-amine
CID 106177617
4-[2-(cyclohexen-1-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 61147188
4-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 22048125
N-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-4-nitrobenzamide
CID 24980436
4-bromo-N-[2-(cyclopenten-1-yl)ethyl]-5-fluoro-2-nitroaniline
CID 106177521
N-[2-(cyclopenten-1-yl)ethyl]-3-fluoro-2-nitrobenzenesulfonamide
CID 103844648
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
1-[2-(cyclohexen-1-yl)ethyl]-2-methyl-3-[(4-nitrophenyl)methyl]guanidine;hydroiodide
CID 111209489

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline (CID 103844182) is N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline is O=[N+]([O-])c1ccc(NCCC2=CCCC2)cc1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline?
The InChIKey is OUMDEHOSDZFXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-15(17)13-7-5-12(6-8-13)14-10-9-11-3-1-2-4-11/h3,5-8,14H,1-2,4,9-10H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline?
N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline has a molecular weight of 232.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-4-nitroaniline is sourced from PubChem (CID 103844182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).