[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate

C7H14N2O2 — CID 11105634

IUPAC[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate
SMILESCC(=O)OC(C)/C=N/N(C)C
InChIInChI=1S/C7H14N2O2/c1-6(11-7(2)10)5-8-9(3)4/h5-6H,1-4H3/b8-5+
InChIKeyFRHFIHDPWNKMDY-VMPITWQZSA-N
MW158.20 g/mol
LogP0.49
Rot. Bonds3

About [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate

[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate (PubChem CID 11105634) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate.

Molecular Properties

Compound Name[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate
PubChem CID11105634
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate
SMILESCC(=O)OC(C)/C=N/N(C)C
InChIInChI=1S/C7H14N2O2/c1-6(11-7(2)10)5-8-9(3)4/h5-6H,1-4H3/b8-5+
InChIKeyFRHFIHDPWNKMDY-VMPITWQZSA-N
XLogP0.49
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

[(E,2R,5R)-5-acetyloxyhex-3-en-2-yl] acetate
CID 166437845
[(2R)-but-3-en-2-yl] acetate
CID 11378468
1-[2-hydroxypropan-2-yl(methyl)amino]ethyl acetate
CID 138480036
[(3E,5E)-hepta-3,5-dien-2-yl] acetate
CID 12755488
(1E)-1-(dimethylhydrazinylidene)but-3-en-2-ol
CID 15882620
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
CID 14241776
[(E,2S,5R)-5-(diethylamino)hex-3-en-2-yl] acetate
CID 131888386
[(E)-6-methylhept-3-en-2-yl] acetate
CID 135085622
[(E,2R)-4-cyanobut-3-en-2-yl] acetate
CID 11412427
propan-2-yl acetate;hydrochloride
CID 87336432
5-methylsulfonyloxyhex-3-en-2-yl acetate
CID 123401405
4-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl acetate
CID 154478737

Frequently Asked Questions

What is the IUPAC name of [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate?
The IUPAC name of [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate (CID 11105634) is [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate.
What is the SMILES notation for [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate?
The canonical SMILES for [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate is CC(=O)OC(C)/C=N/N(C)C.
What is the InChIKey of [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate?
The InChIKey is FRHFIHDPWNKMDY-VMPITWQZSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(11-7(2)10)5-8-9(3)4/h5-6H,1-4H3/b8-5+.
What are the key properties of [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate?
[(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate has a molecular weight of 158.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-(dimethylhydrazinylidene)propan-2-yl] acetate is sourced from PubChem (CID 11105634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).