N'-(4-nitrophenyl)propanehydrazide

C9H11N3O3 — CID 3127948

IUPACN'-(4-nitrophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11N3O3/c1-2-9(13)11-10-7-3-5-8(6-4-7)12(14)15/h3-6,10H,2H2,1H3,(H,11,13)
InChIKeyQHYSTAXXSKHOQP-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.45
Rot. Bonds4

About N'-(4-nitrophenyl)propanehydrazide

N'-(4-nitrophenyl)propanehydrazide (PubChem CID 3127948) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is N'-(4-nitrophenyl)propanehydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)propanehydrazide
PubChem CID3127948
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC NameN'-(4-nitrophenyl)propanehydrazide
SMILESCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H11N3O3/c1-2-9(13)11-10-7-3-5-8(6-4-7)12(14)15/h3-6,10H,2H2,1H3,(H,11,13)
InChIKeyQHYSTAXXSKHOQP-UHFFFAOYSA-N
XLogP1.45
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-nitrophenyl)propanehydrazide?
The IUPAC name of N'-(4-nitrophenyl)propanehydrazide (CID 3127948) is N'-(4-nitrophenyl)propanehydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)propanehydrazide?
The canonical SMILES for N'-(4-nitrophenyl)propanehydrazide is CCC(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)propanehydrazide?
The InChIKey is QHYSTAXXSKHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-9(13)11-10-7-3-5-8(6-4-7)12(14)15/h3-6,10H,2H2,1H3,(H,11,13).
What are the key properties of N'-(4-nitrophenyl)propanehydrazide?
N'-(4-nitrophenyl)propanehydrazide has a molecular weight of 209.21 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)propanehydrazide is sourced from PubChem (CID 3127948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).