N'-(4-nitrophenyl)butanehydrazide

C10H13N3O3 — CID 4202112

IUPACN'-(4-nitrophenyl)butanehydrazide
SMILESCCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-2-3-10(14)12-11-8-4-6-9(7-5-8)13(15)16/h4-7,11H,2-3H2,1H3,(H,12,14)
InChIKeyRTNSKWDZWDAZIN-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.84
Rot. Bonds5

About N'-(4-nitrophenyl)butanehydrazide

N'-(4-nitrophenyl)butanehydrazide (PubChem CID 4202112) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N'-(4-nitrophenyl)butanehydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)butanehydrazide
PubChem CID4202112
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN'-(4-nitrophenyl)butanehydrazide
SMILESCCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-2-3-10(14)12-11-8-4-6-9(7-5-8)13(15)16/h4-7,11H,2-3H2,1H3,(H,12,14)
InChIKeyRTNSKWDZWDAZIN-UHFFFAOYSA-N
XLogP1.84
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.84
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)butanehydrazide?
The IUPAC name of N'-(4-nitrophenyl)butanehydrazide (CID 4202112) is N'-(4-nitrophenyl)butanehydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)butanehydrazide?
The canonical SMILES for N'-(4-nitrophenyl)butanehydrazide is CCCC(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)butanehydrazide?
The InChIKey is RTNSKWDZWDAZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-3-10(14)12-11-8-4-6-9(7-5-8)13(15)16/h4-7,11H,2-3H2,1H3,(H,12,14).
What are the key properties of N'-(4-nitrophenyl)butanehydrazide?
N'-(4-nitrophenyl)butanehydrazide has a molecular weight of 223.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)butanehydrazide is sourced from PubChem (CID 4202112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).