2-(oxan-3-yl)acetohydrazide

C7H14N2O2 — CID 68613695

IUPAC2-(oxan-3-yl)acetohydrazide
SMILESNNC(=O)CC1CCCOC1
InChIInChI=1S/C7H14N2O2/c8-9-7(10)4-6-2-1-3-11-5-6/h6H,1-5,8H2,(H,9,10)
InChIKeyAEFRFXZKNGWFJS-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.21
Rot. Bonds2

About 2-(oxan-3-yl)acetohydrazide

2-(oxan-3-yl)acetohydrazide (PubChem CID 68613695) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(oxan-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(oxan-3-yl)acetohydrazide
PubChem CID68613695
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(oxan-3-yl)acetohydrazide
SMILESNNC(=O)CC1CCCOC1
InChIInChI=1S/C7H14N2O2/c8-9-7(10)4-6-2-1-3-11-5-6/h6H,1-5,8H2,(H,9,10)
InChIKeyAEFRFXZKNGWFJS-UHFFFAOYSA-N
XLogP-0.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.21
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-(oxan-3-yl)acetohydrazide?
The IUPAC name of 2-(oxan-3-yl)acetohydrazide (CID 68613695) is 2-(oxan-3-yl)acetohydrazide.
What is the SMILES notation for 2-(oxan-3-yl)acetohydrazide?
The canonical SMILES for 2-(oxan-3-yl)acetohydrazide is NNC(=O)CC1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)acetohydrazide?
The InChIKey is AEFRFXZKNGWFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-9-7(10)4-6-2-1-3-11-5-6/h6H,1-5,8H2,(H,9,10).
What are the key properties of 2-(oxan-3-yl)acetohydrazide?
2-(oxan-3-yl)acetohydrazide has a molecular weight of 158.20 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)acetohydrazide is sourced from PubChem (CID 68613695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).