(4-nitro-3-propan-2-yloxyphenyl)hydrazine

C9H13N3O3 — CID 83002210

IUPAC(4-nitro-3-propan-2-yloxyphenyl)hydrazine
SMILESCC(C)Oc1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-6(2)15-9-5-7(11-10)3-4-8(9)12(13)14/h3-6,11H,10H2,1-2H3
InChIKeyJZWCPIOZWAVJPA-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.67
Rot. Bonds4

About (4-nitro-3-propan-2-yloxyphenyl)hydrazine

(4-nitro-3-propan-2-yloxyphenyl)hydrazine (PubChem CID 83002210) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (4-nitro-3-propan-2-yloxyphenyl)hydrazine.

Molecular Properties

Compound Name(4-nitro-3-propan-2-yloxyphenyl)hydrazine
PubChem CID83002210
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(4-nitro-3-propan-2-yloxyphenyl)hydrazine
SMILESCC(C)Oc1cc(NN)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-6(2)15-9-5-7(11-10)3-4-8(9)12(13)14/h3-6,11H,10H2,1-2H3
InChIKeyJZWCPIOZWAVJPA-UHFFFAOYSA-N
XLogP1.67
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.67
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-butan-2-yl-4-nitro-3-propan-2-yloxyaniline
CID 83002356
2-(4-nitro-3-propan-2-yloxyanilino)propane-1,3-diol
CID 83012774
1-N-(4-nitro-3-propan-2-yloxyphenyl)butane-1,3-diamine
CID 83013089
4-nitro-3-propan-2-yloxy-N-prop-2-enylaniline
CID 83012928
N'-(4-nitro-3-propan-2-yloxyphenyl)butane-1,4-diamine
CID 83002070
(3-ethoxy-4-nitrophenyl)hydrazine
CID 63670732
2-(4-nitro-3-propan-2-yloxyanilino)acetic acid
CID 83002908
N-(2,2-dimethylbutyl)-4-nitro-3-propan-2-yloxyaniline
CID 103462587
2-N,2-N-dimethyl-1-N-(4-nitro-3-propan-2-yloxyphenyl)propane-1,2-diamine
CID 83012694
N,2-dimethyl-N'-(4-nitro-3-propan-2-yloxyphenyl)propane-1,3-diamine
CID 83013408
methyl 3-hydroxy-2-(4-nitro-3-propan-2-yloxyanilino)propanoate
CID 83003318
4-bromo-1-nitro-2-propan-2-yloxybenzene
CID 22624321

Frequently Asked Questions

What is the IUPAC name of (4-nitro-3-propan-2-yloxyphenyl)hydrazine?
The IUPAC name of (4-nitro-3-propan-2-yloxyphenyl)hydrazine (CID 83002210) is (4-nitro-3-propan-2-yloxyphenyl)hydrazine.
What is the SMILES notation for (4-nitro-3-propan-2-yloxyphenyl)hydrazine?
The canonical SMILES for (4-nitro-3-propan-2-yloxyphenyl)hydrazine is CC(C)Oc1cc(NN)ccc1[N+](=O)[O-].
What is the InChIKey of (4-nitro-3-propan-2-yloxyphenyl)hydrazine?
The InChIKey is JZWCPIOZWAVJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(2)15-9-5-7(11-10)3-4-8(9)12(13)14/h3-6,11H,10H2,1-2H3.
What are the key properties of (4-nitro-3-propan-2-yloxyphenyl)hydrazine?
(4-nitro-3-propan-2-yloxyphenyl)hydrazine has a molecular weight of 211.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitro-3-propan-2-yloxyphenyl)hydrazine is sourced from PubChem (CID 83002210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).