5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline

C11H11BrN2O2 — CID 115715250

IUPAC5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Br)cc1NC1CC=CC1
InChIInChI=1S/C11H11BrN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h1-2,5-7,9,13H,3-4H2
InChIKeyYLKXNOODIZXCKL-UHFFFAOYSA-N
MW283.12 g/mol
LogP3.49
Rot. Bonds3

About 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline

5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline (PubChem CID 115715250) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline.

Molecular Properties

Compound Name5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
PubChem CID115715250
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline
SMILESO=[N+]([O-])c1ccc(Br)cc1NC1CC=CC1
InChIInChI=1S/C11H11BrN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h1-2,5-7,9,13H,3-4H2
InChIKeyYLKXNOODIZXCKL-UHFFFAOYSA-N
XLogP3.49
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 53.49
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

N-(5-bromo-2-nitrophenyl)thian-4-amine
CID 113260841
5-bromo-N-(2-methylcyclopropyl)-2-nitroaniline
CID 65341327
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
4-(5-bromo-2-nitroanilino)-1-cyclopropylpyrrolidin-2-one
CID 133368608
5-bromo-N-(2-methylcyclohexyl)-2-nitroaniline
CID 65341912
N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
5-bromo-N-(cyclopropylmethyl)-2-nitroaniline
CID 65341443
5-bromo-N-(2,3-dimethylcyclohexyl)-2-nitroaniline
CID 65341865
N-cyclohex-3-en-1-yl-5-methoxy-2-nitroaniline
CID 79033286
N-cyclopent-3-en-1-yl-4-fluoro-5-methyl-2-nitroaniline
CID 103591889
N-(5-bromo-2-nitrophenyl)-1-(6-methyl-2-pyridinyl)piperidin-4-amine
CID 133394005
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline?
The IUPAC name of 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline (CID 115715250) is 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline.
What is the SMILES notation for 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline?
The canonical SMILES for 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline is O=[N+]([O-])c1ccc(Br)cc1NC1CC=CC1.
What is the InChIKey of 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline?
The InChIKey is YLKXNOODIZXCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c12-8-5-6-11(14(15)16)10(7-8)13-9-3-1-2-4-9/h1-2,5-7,9,13H,3-4H2.
What are the key properties of 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline?
5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline has a molecular weight of 283.12 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopent-3-en-1-yl-2-nitroaniline is sourced from PubChem (CID 115715250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).