2-tert-butyloxolane-3-carbohydrazide

C9H18N2O2 — CID 122235525

IUPAC2-tert-butyloxolane-3-carbohydrazide
SMILESCC(C)(C)C1OCCC1C(=O)NN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)7-6(4-5-13-7)8(12)11-10/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyQEATYYANKMYQAP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds1

About 2-tert-butyloxolane-3-carbohydrazide

2-tert-butyloxolane-3-carbohydrazide (PubChem CID 122235525) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-tert-butyloxolane-3-carbohydrazide.

Molecular Properties

Compound Name2-tert-butyloxolane-3-carbohydrazide
PubChem CID122235525
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-tert-butyloxolane-3-carbohydrazide
SMILESCC(C)(C)C1OCCC1C(=O)NN
InChIInChI=1S/C9H18N2O2/c1-9(2,3)7-6(4-5-13-7)8(12)11-10/h6-7H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyQEATYYANKMYQAP-UHFFFAOYSA-N
XLogP0.43
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
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-tert-butyloxolane-3-carbohydrazide?
The IUPAC name of 2-tert-butyloxolane-3-carbohydrazide (CID 122235525) is 2-tert-butyloxolane-3-carbohydrazide.
What is the SMILES notation for 2-tert-butyloxolane-3-carbohydrazide?
The canonical SMILES for 2-tert-butyloxolane-3-carbohydrazide is CC(C)(C)C1OCCC1C(=O)NN.
What is the InChIKey of 2-tert-butyloxolane-3-carbohydrazide?
The InChIKey is QEATYYANKMYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)7-6(4-5-13-7)8(12)11-10/h6-7H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 2-tert-butyloxolane-3-carbohydrazide?
2-tert-butyloxolane-3-carbohydrazide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyloxolane-3-carbohydrazide is sourced from PubChem (CID 122235525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).