2-(2-oxoazepan-1-yl)acetohydrazide

C8H15N3O2 — CID 3804549

IUPAC2-(2-oxoazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C8H15N3O2/c9-10-7(12)6-11-5-3-1-2-4-8(11)13/h1-6,9H2,(H,10,12)
InChIKeyUWPFRDXXVMXESX-UHFFFAOYSA-N
MW185.23 g/mol
LogP-0.62
Rot. Bonds2

About 2-(2-oxoazepan-1-yl)acetohydrazide

2-(2-oxoazepan-1-yl)acetohydrazide (PubChem CID 3804549) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(2-oxoazepan-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-oxoazepan-1-yl)acetohydrazide
PubChem CID3804549
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-(2-oxoazepan-1-yl)acetohydrazide
SMILESNNC(=O)CN1CCCCCC1=O
InChIInChI=1S/C8H15N3O2/c9-10-7(12)6-11-5-3-1-2-4-8(11)13/h1-6,9H2,(H,10,12)
InChIKeyUWPFRDXXVMXESX-UHFFFAOYSA-N
XLogP-0.62
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-(2-oxoazepan-1-yl)acetohydrazide?
The IUPAC name of 2-(2-oxoazepan-1-yl)acetohydrazide (CID 3804549) is 2-(2-oxoazepan-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-oxoazepan-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-oxoazepan-1-yl)acetohydrazide is NNC(=O)CN1CCCCCC1=O.
What is the InChIKey of 2-(2-oxoazepan-1-yl)acetohydrazide?
The InChIKey is UWPFRDXXVMXESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c9-10-7(12)6-11-5-3-1-2-4-8(11)13/h1-6,9H2,(H,10,12).
What are the key properties of 2-(2-oxoazepan-1-yl)acetohydrazide?
2-(2-oxoazepan-1-yl)acetohydrazide has a molecular weight of 185.23 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazepan-1-yl)acetohydrazide is sourced from PubChem (CID 3804549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).