(3-nitro-5-pentan-2-yloxyphenyl)hydrazine

C11H17N3O3 — CID 102989748

IUPAC(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
SMILESCCCC(C)Oc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-3-4-8(2)17-11-6-9(13-12)5-10(7-11)14(15)16/h5-8,13H,3-4,12H2,1-2H3
InChIKeyIVJWCICYNKZUEK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.45
Rot. Bonds6

About (3-nitro-5-pentan-2-yloxyphenyl)hydrazine

(3-nitro-5-pentan-2-yloxyphenyl)hydrazine (PubChem CID 102989748) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is (3-nitro-5-pentan-2-yloxyphenyl)hydrazine.

Molecular Properties

Compound Name(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
PubChem CID102989748
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name(3-nitro-5-pentan-2-yloxyphenyl)hydrazine
SMILESCCCC(C)Oc1cc(NN)cc([N+](=O)[O-])c1
InChIInChI=1S/C11H17N3O3/c1-3-4-8(2)17-11-6-9(13-12)5-10(7-11)14(15)16/h5-8,13H,3-4,12H2,1-2H3
InChIKeyIVJWCICYNKZUEK-UHFFFAOYSA-N
XLogP2.45
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.45
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

N-ethyl-3-nitro-5-pentan-2-yloxyaniline
CID 102989295
N-ethyl-3-nitro-5-propan-2-yloxyaniline
CID 80721910
N-[2-(3-hydrazinyl-5-nitrophenoxy)ethyl]-N-propan-2-ylpropan-2-amine
CID 115506037
N-butyl-3-nitro-5-propan-2-yloxyaniline
CID 80722685
N-methyl-3-(2-methylpentoxy)-5-nitroaniline
CID 103286343
2-(3-hydrazinyl-5-nitrophenoxy)ethanol
CID 80912775
[3-[(E)-but-2-enoxy]-5-nitrophenyl]hydrazine
CID 80930909
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
ethyl 3-(3-nitro-5-propan-2-yloxyanilino)propanoate
CID 80733229
N-(2,2-dimethylbutyl)-3-nitro-5-propan-2-yloxyaniline
CID 103462392
2-ethyl-1-N-(3-nitro-5-propan-2-yloxyphenyl)butane-1,2-diamine
CID 115306241
[3-nitro-5-(3-nitrophenoxy)phenyl]hydrazine
CID 80912353

Frequently Asked Questions

What is the IUPAC name of (3-nitro-5-pentan-2-yloxyphenyl)hydrazine?
The IUPAC name of (3-nitro-5-pentan-2-yloxyphenyl)hydrazine (CID 102989748) is (3-nitro-5-pentan-2-yloxyphenyl)hydrazine.
What is the SMILES notation for (3-nitro-5-pentan-2-yloxyphenyl)hydrazine?
The canonical SMILES for (3-nitro-5-pentan-2-yloxyphenyl)hydrazine is CCCC(C)Oc1cc(NN)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-5-pentan-2-yloxyphenyl)hydrazine?
The InChIKey is IVJWCICYNKZUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-8(2)17-11-6-9(13-12)5-10(7-11)14(15)16/h5-8,13H,3-4,12H2,1-2H3.
What are the key properties of (3-nitro-5-pentan-2-yloxyphenyl)hydrazine?
(3-nitro-5-pentan-2-yloxyphenyl)hydrazine has a molecular weight of 239.28 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-5-pentan-2-yloxyphenyl)hydrazine is sourced from PubChem (CID 102989748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).