N'-(4-nitrophenyl)pentanehydrazide

C11H15N3O3 — CID 5493004

IUPACN'-(4-nitrophenyl)pentanehydrazide
SMILESCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-11(15)13-12-9-5-7-10(8-6-9)14(16)17/h5-8,12H,2-4H2,1H3,(H,13,15)
InChIKeyYNBAEPKMVZRBQQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.23
Rot. Bonds6

About N'-(4-nitrophenyl)pentanehydrazide

N'-(4-nitrophenyl)pentanehydrazide (PubChem CID 5493004) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-(4-nitrophenyl)pentanehydrazide.

Molecular Properties

Compound NameN'-(4-nitrophenyl)pentanehydrazide
PubChem CID5493004
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN'-(4-nitrophenyl)pentanehydrazide
SMILESCCCCC(=O)NNc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-3-4-11(15)13-12-9-5-7-10(8-6-9)14(16)17/h5-8,12H,2-4H2,1H3,(H,13,15)
InChIKeyYNBAEPKMVZRBQQ-UHFFFAOYSA-N
XLogP2.23
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.23
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)pentanehydrazide?
The IUPAC name of N'-(4-nitrophenyl)pentanehydrazide (CID 5493004) is N'-(4-nitrophenyl)pentanehydrazide.
What is the SMILES notation for N'-(4-nitrophenyl)pentanehydrazide?
The canonical SMILES for N'-(4-nitrophenyl)pentanehydrazide is CCCCC(=O)NNc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(4-nitrophenyl)pentanehydrazide?
The InChIKey is YNBAEPKMVZRBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-4-11(15)13-12-9-5-7-10(8-6-9)14(16)17/h5-8,12H,2-4H2,1H3,(H,13,15).
What are the key properties of N'-(4-nitrophenyl)pentanehydrazide?
N'-(4-nitrophenyl)pentanehydrazide has a molecular weight of 237.26 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-nitrophenyl)pentanehydrazide is sourced from PubChem (CID 5493004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).