[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine

C12H16N4O2 — CID 80904465

IUPAC[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(N2CC3CCC2C3)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O2/c13-14-10-2-1-3-11(12(10)16(17)18)15-7-8-4-5-9(15)6-8/h1-3,8-9,14H,4-7,13H2
InChIKeyCBOSHBQFAAYMIS-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.87
Rot. Bonds3

About [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine

[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine (PubChem CID 80904465) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
PubChem CID80904465
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine
SMILESNNc1cccc(N2CC3CCC2C3)c1[N+](=O)[O-]
InChIInChI=1S/C12H16N4O2/c13-14-10-2-1-3-11(12(10)16(17)18)15-7-8-4-5-9(15)6-8/h1-3,8-9,14H,4-7,13H2
InChIKeyCBOSHBQFAAYMIS-UHFFFAOYSA-N
XLogP1.87
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

2-(3-chloro-2-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 104838905
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrobenzoic acid
CID 113332071
[3-(4-cyclopropylpiperazin-1-yl)-2-nitrophenyl]hydrazine
CID 80900424
[3-(3-methylpyrrolidin-1-yl)-2-nitrophenyl]hydrazine
CID 80898807
1-(3-hydrazinyl-2-nitrophenyl)pyrrolidin-3-ol
CID 80919019
[3-(3-methylpiperidin-1-yl)-2-nitrophenyl]hydrazine
CID 80927463
(2-nitro-3-piperidin-1-ylphenyl)hydrazine
CID 80913842
[3-(4,4-dimethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80931283
2-(4-nitrophenyl)-2-azabicyclo[2.2.1]heptane
CID 123155106
1-[1-(3-hydrazinyl-2-nitrophenyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 80902402
[3-(4-ethylazepan-1-yl)-2-nitrophenyl]hydrazine
CID 80918182
N-(1-cyclopropylethyl)-3-hydrazinyl-2-nitroaniline
CID 80906458

Frequently Asked Questions

What is the IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine?
The IUPAC name of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine (CID 80904465) is [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine.
What is the SMILES notation for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine?
The canonical SMILES for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine is NNc1cccc(N2CC3CCC2C3)c1[N+](=O)[O-].
What is the InChIKey of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine?
The InChIKey is CBOSHBQFAAYMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-14-10-2-1-3-11(12(10)16(17)18)15-7-8-4-5-9(15)6-8/h1-3,8-9,14H,4-7,13H2.
What are the key properties of [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine?
[3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine has a molecular weight of 248.29 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-nitrophenyl]hydrazine is sourced from PubChem (CID 80904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).