N-[(4-nitrophenyl)methyl]butanehydrazide

C11H15N3O3 — CID 178067833

IUPACN-[(4-nitrophenyl)methyl]butanehydrazide
SMILESCCCC(=O)N(N)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-3-11(15)13(12)8-9-4-6-10(7-5-9)14(16)17/h4-7H,2-3,8,12H2,1H3
InChIKeyUDVGTUGFDOTASD-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.60
Rot. Bonds5

About N-[(4-nitrophenyl)methyl]butanehydrazide

N-[(4-nitrophenyl)methyl]butanehydrazide (PubChem CID 178067833) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]butanehydrazide.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]butanehydrazide
PubChem CID178067833
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-[(4-nitrophenyl)methyl]butanehydrazide
SMILESCCCC(=O)N(N)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H15N3O3/c1-2-3-11(15)13(12)8-9-4-6-10(7-5-9)14(16)17/h4-7H,2-3,8,12H2,1H3
InChIKeyUDVGTUGFDOTASD-UHFFFAOYSA-N
XLogP1.60
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

3-amino-N-[(4-nitrophenyl)methyl]-N-propan-2-ylpropanamide
CID 119302700
ethyl N-tert-butyl-N-[(4-nitrophenyl)methyl]carbamate
CID 140568387
N-(2,4-dinitrophenyl)butanehydrazide
CID 132775513
ethyl N-[2-(4-nitrophenyl)ethyl]-N-[(4-nitrophenyl)methyl]carbamate
CID 118047998
ethyl N-[(4-nitrophenyl)methyl]-N-(sulfonylmethyl)carbamate
CID 57361071
azane;1-ethyl-4-nitrobenzene
CID 19043225
ethyl (2R)-2-amino-3-(4-nitrophenyl)propanoate
CID 12608011
(2S)-2-amino-N-ethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 66568438
ethyl 3-(4-nitrophenyl)-2-oxopropanoate
CID 15716402
(4-nitrophenyl)methyl 2-ethylperoxy-3-oxohexanoate
CID 141002731
N-benzyl-N-(4-nitrophenyl)-4-oxohexanamide
CID 19863365
ethane;1-nitro-4-propylbenzene
CID 123575523

Frequently Asked Questions

What is the IUPAC name of N-[(4-nitrophenyl)methyl]butanehydrazide?
The IUPAC name of N-[(4-nitrophenyl)methyl]butanehydrazide (CID 178067833) is N-[(4-nitrophenyl)methyl]butanehydrazide.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]butanehydrazide?
The canonical SMILES for N-[(4-nitrophenyl)methyl]butanehydrazide is CCCC(=O)N(N)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]butanehydrazide?
The InChIKey is UDVGTUGFDOTASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-3-11(15)13(12)8-9-4-6-10(7-5-9)14(16)17/h4-7H,2-3,8,12H2,1H3.
What are the key properties of N-[(4-nitrophenyl)methyl]butanehydrazide?
N-[(4-nitrophenyl)methyl]butanehydrazide has a molecular weight of 237.26 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]butanehydrazide is sourced from PubChem (CID 178067833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).