N-butyl-4-hydrazinyl-4-oxobutanamide

C8H17N3O2 — CID 88521517

IUPACN-butyl-4-hydrazinyl-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)NN
InChIInChI=1S/C8H17N3O2/c1-2-3-6-10-7(12)4-5-8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyXAYORIUMEBQOTK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.33
Rot. Bonds6

About N-butyl-4-hydrazinyl-4-oxobutanamide

N-butyl-4-hydrazinyl-4-oxobutanamide (PubChem CID 88521517) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-butyl-4-hydrazinyl-4-oxobutanamide.

Molecular Properties

Compound NameN-butyl-4-hydrazinyl-4-oxobutanamide
PubChem CID88521517
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN-butyl-4-hydrazinyl-4-oxobutanamide
SMILESCCCCNC(=O)CCC(=O)NN
InChIInChI=1S/C8H17N3O2/c1-2-3-6-10-7(12)4-5-8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyXAYORIUMEBQOTK-UHFFFAOYSA-N
XLogP-0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-butyl-4-hydrazinyl-4-oxobutanamide?
The IUPAC name of N-butyl-4-hydrazinyl-4-oxobutanamide (CID 88521517) is N-butyl-4-hydrazinyl-4-oxobutanamide.
What is the SMILES notation for N-butyl-4-hydrazinyl-4-oxobutanamide?
The canonical SMILES for N-butyl-4-hydrazinyl-4-oxobutanamide is CCCCNC(=O)CCC(=O)NN.
What is the InChIKey of N-butyl-4-hydrazinyl-4-oxobutanamide?
The InChIKey is XAYORIUMEBQOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-2-3-6-10-7(12)4-5-8(13)11-9/h2-6,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of N-butyl-4-hydrazinyl-4-oxobutanamide?
N-butyl-4-hydrazinyl-4-oxobutanamide has a molecular weight of 187.24 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-hydrazinyl-4-oxobutanamide is sourced from PubChem (CID 88521517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).