2-tert-butylcyclopropane-1-carbohydrazide

C8H16N2O — CID 164661851

IUPAC2-tert-butylcyclopropane-1-carbohydrazide
SMILESCC(C)(C)C1CC1C(=O)NN
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-4-5(6)7(11)10-9/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyYLDLXJRAOOYNIS-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.66
Rot. Bonds1

About 2-tert-butylcyclopropane-1-carbohydrazide

2-tert-butylcyclopropane-1-carbohydrazide (PubChem CID 164661851) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-tert-butylcyclopropane-1-carbohydrazide.

Molecular Properties

Compound Name2-tert-butylcyclopropane-1-carbohydrazide
PubChem CID164661851
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-tert-butylcyclopropane-1-carbohydrazide
SMILESCC(C)(C)C1CC1C(=O)NN
InChIInChI=1S/C8H16N2O/c1-8(2,3)6-4-5(6)7(11)10-9/h5-6H,4,9H2,1-3H3,(H,10,11)
InChIKeyYLDLXJRAOOYNIS-UHFFFAOYSA-N
XLogP0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-butylcyclopropane-1-carbohydrazide?
The IUPAC name of 2-tert-butylcyclopropane-1-carbohydrazide (CID 164661851) is 2-tert-butylcyclopropane-1-carbohydrazide.
What is the SMILES notation for 2-tert-butylcyclopropane-1-carbohydrazide?
The canonical SMILES for 2-tert-butylcyclopropane-1-carbohydrazide is CC(C)(C)C1CC1C(=O)NN.
What is the InChIKey of 2-tert-butylcyclopropane-1-carbohydrazide?
The InChIKey is YLDLXJRAOOYNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(2,3)6-4-5(6)7(11)10-9/h5-6H,4,9H2,1-3H3,(H,10,11).
What are the key properties of 2-tert-butylcyclopropane-1-carbohydrazide?
2-tert-butylcyclopropane-1-carbohydrazide has a molecular weight of 156.23 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylcyclopropane-1-carbohydrazide is sourced from PubChem (CID 164661851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).