2-(4-nitrophenoxy)propanehydrazide

C9H11N3O4 — CID 3727013

IUPAC2-(4-nitrophenoxy)propanehydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN
InChIInChI=1S/C9H11N3O4/c1-6(9(13)11-10)16-8-4-2-7(3-5-8)12(14)15/h2-6H,10H2,1H3,(H,11,13)
InChIKeyPMNXIBGQTSSNCB-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.35
Rot. Bonds4

About 2-(4-nitrophenoxy)propanehydrazide

2-(4-nitrophenoxy)propanehydrazide (PubChem CID 3727013) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-(4-nitrophenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(4-nitrophenoxy)propanehydrazide
PubChem CID3727013
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-(4-nitrophenoxy)propanehydrazide
SMILESCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN
InChIInChI=1S/C9H11N3O4/c1-6(9(13)11-10)16-8-4-2-7(3-5-8)12(14)15/h2-6H,10H2,1H3,(H,11,13)
InChIKeyPMNXIBGQTSSNCB-UHFFFAOYSA-N
XLogP0.35
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenoxy)propanehydrazide?
The IUPAC name of 2-(4-nitrophenoxy)propanehydrazide (CID 3727013) is 2-(4-nitrophenoxy)propanehydrazide.
What is the SMILES notation for 2-(4-nitrophenoxy)propanehydrazide?
The canonical SMILES for 2-(4-nitrophenoxy)propanehydrazide is CC(Oc1ccc([N+](=O)[O-])cc1)C(=O)NN.
What is the InChIKey of 2-(4-nitrophenoxy)propanehydrazide?
The InChIKey is PMNXIBGQTSSNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(9(13)11-10)16-8-4-2-7(3-5-8)12(14)15/h2-6H,10H2,1H3,(H,11,13).
What are the key properties of 2-(4-nitrophenoxy)propanehydrazide?
2-(4-nitrophenoxy)propanehydrazide has a molecular weight of 225.20 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenoxy)propanehydrazide is sourced from PubChem (CID 3727013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).