2-phenyloxolane-3-carbohydrazide

C11H14N2O2 — CID 122235516

IUPAC2-phenyloxolane-3-carbohydrazide
SMILESNNC(=O)C1CCOC1c1ccccc1
InChIInChI=1S/C11H14N2O2/c12-13-11(14)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2,(H,13,14)
InChIKeyNWKLPUKIUCFNBF-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.75
Rot. Bonds2

About 2-phenyloxolane-3-carbohydrazide

2-phenyloxolane-3-carbohydrazide (PubChem CID 122235516) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-phenyloxolane-3-carbohydrazide.

Molecular Properties

Compound Name2-phenyloxolane-3-carbohydrazide
PubChem CID122235516
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-phenyloxolane-3-carbohydrazide
SMILESNNC(=O)C1CCOC1c1ccccc1
InChIInChI=1S/C11H14N2O2/c12-13-11(14)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2,(H,13,14)
InChIKeyNWKLPUKIUCFNBF-UHFFFAOYSA-N
XLogP0.75
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.75
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-phenyloxolane-3-carbohydrazide?
The IUPAC name of 2-phenyloxolane-3-carbohydrazide (CID 122235516) is 2-phenyloxolane-3-carbohydrazide.
What is the SMILES notation for 2-phenyloxolane-3-carbohydrazide?
The canonical SMILES for 2-phenyloxolane-3-carbohydrazide is NNC(=O)C1CCOC1c1ccccc1.
What is the InChIKey of 2-phenyloxolane-3-carbohydrazide?
The InChIKey is NWKLPUKIUCFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-13-11(14)9-6-7-15-10(9)8-4-2-1-3-5-8/h1-5,9-10H,6-7,12H2,(H,13,14).
What are the key properties of 2-phenyloxolane-3-carbohydrazide?
2-phenyloxolane-3-carbohydrazide has a molecular weight of 206.25 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxolane-3-carbohydrazide is sourced from PubChem (CID 122235516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).