(1Z)-1-(tert-butylhydrazinylidene)propan-2-one

C7H14N2O — CID 129373313

IUPAC(1Z)-1-(tert-butylhydrazinylidene)propan-2-one
SMILESCC(=O)/C=N\NC(C)(C)C
InChIInChI=1S/C7H14N2O/c1-6(10)5-8-9-7(2,3)4/h5,9H,1-4H3/b8-5-
InChIKeyXSSZFBQDGPIZTD-YVMONPNESA-N
MW142.20 g/mol
LogP0.95
Rot. Bonds2

About (1Z)-1-(tert-butylhydrazinylidene)propan-2-one

(1Z)-1-(tert-butylhydrazinylidene)propan-2-one (PubChem CID 129373313) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (1Z)-1-(tert-butylhydrazinylidene)propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(tert-butylhydrazinylidene)propan-2-one
PubChem CID129373313
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(1Z)-1-(tert-butylhydrazinylidene)propan-2-one
SMILESCC(=O)/C=N\NC(C)(C)C
InChIInChI=1S/C7H14N2O/c1-6(10)5-8-9-7(2,3)4/h5,9H,1-4H3/b8-5-
InChIKeyXSSZFBQDGPIZTD-YVMONPNESA-N
XLogP0.95
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (1Z)-1-(tert-butylhydrazinylidene)propan-2-one?
The IUPAC name of (1Z)-1-(tert-butylhydrazinylidene)propan-2-one (CID 129373313) is (1Z)-1-(tert-butylhydrazinylidene)propan-2-one.
What is the SMILES notation for (1Z)-1-(tert-butylhydrazinylidene)propan-2-one?
The canonical SMILES for (1Z)-1-(tert-butylhydrazinylidene)propan-2-one is CC(=O)/C=N\NC(C)(C)C.
What is the InChIKey of (1Z)-1-(tert-butylhydrazinylidene)propan-2-one?
The InChIKey is XSSZFBQDGPIZTD-YVMONPNESA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(10)5-8-9-7(2,3)4/h5,9H,1-4H3/b8-5-.
What are the key properties of (1Z)-1-(tert-butylhydrazinylidene)propan-2-one?
(1Z)-1-(tert-butylhydrazinylidene)propan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(tert-butylhydrazinylidene)propan-2-one is sourced from PubChem (CID 129373313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).