1-(4-nitrophenyl)-2-propan-2-ylhydrazine

C9H13N3O2 — CID 101164865

IUPAC1-(4-nitrophenyl)-2-propan-2-ylhydrazine
SMILESCC(C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H13N3O2/c1-7(2)10-11-8-3-5-9(6-4-8)12(13)14/h3-7,10-11H,1-2H3
InChIKeyQPSZYDXMIJQCBJ-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-nitrophenyl)-2-propan-2-ylhydrazine

1-(4-nitrophenyl)-2-propan-2-ylhydrazine (PubChem CID 101164865) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-2-propan-2-ylhydrazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-2-propan-2-ylhydrazine
PubChem CID101164865
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(4-nitrophenyl)-2-propan-2-ylhydrazine
SMILESCC(C)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H13N3O2/c1-7(2)10-11-8-3-5-9(6-4-8)12(13)14/h3-7,10-11H,1-2H3
InChIKeyQPSZYDXMIJQCBJ-UHFFFAOYSA-N
XLogP1.92
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-4-nitroaniline
CID 28826145
N-ethyl-4-[2-(4-nitrophenyl)hydrazinyl]aniline
CID 142912922
N-bromo-4-nitroaniline
CID 54285277
4-nitro-N-(1-pyrrolidin-1-ylethyl)aniline
CID 91987754
(2R)-1-(4-nitroanilino)propan-2-ol
CID 7601843
N'-(2-methylpropyl)-N-(4-nitroanilino)ethanimidamide
CID 11994709
N-butan-2-yl-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 3384458
N-methylsulfanyl-4-nitroaniline
CID 12865053
trimethyl-(4-nitrophenyl)sulfonylphosphanium
CID 155358476
2-(4-nitroanilino)propanamide
CID 43400796
N-(2-methylpentan-3-yl)-4-nitroaniline
CID 43785816
(2S)-2-(4-nitroanilino)propanoic acid;hydrochloride
CID 69175766

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-2-propan-2-ylhydrazine?
The IUPAC name of 1-(4-nitrophenyl)-2-propan-2-ylhydrazine (CID 101164865) is 1-(4-nitrophenyl)-2-propan-2-ylhydrazine.
What is the SMILES notation for 1-(4-nitrophenyl)-2-propan-2-ylhydrazine?
The canonical SMILES for 1-(4-nitrophenyl)-2-propan-2-ylhydrazine is CC(C)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-(4-nitrophenyl)-2-propan-2-ylhydrazine?
The InChIKey is QPSZYDXMIJQCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7(2)10-11-8-3-5-9(6-4-8)12(13)14/h3-7,10-11H,1-2H3.
What are the key properties of 1-(4-nitrophenyl)-2-propan-2-ylhydrazine?
1-(4-nitrophenyl)-2-propan-2-ylhydrazine has a molecular weight of 195.22 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-2-propan-2-ylhydrazine is sourced from PubChem (CID 101164865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).