[(E)-ethylideneamino] 2,2-dimethylpropanoate

C7H13NO2 — CID 166590786

IUPAC[(E)-ethylideneamino] 2,2-dimethylpropanoate
SMILESC/C=N/OC(=O)C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-8-10-6(9)7(2,3)4/h5H,1-4H3/b8-5+
InChIKeyPJXWRFSGSYLMKX-VMPITWQZSA-N
MW143.19 g/mol
LogP1.58
Rot. Bonds1

About [(E)-ethylideneamino] 2,2-dimethylpropanoate

[(E)-ethylideneamino] 2,2-dimethylpropanoate (PubChem CID 166590786) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is [(E)-ethylideneamino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(E)-ethylideneamino] 2,2-dimethylpropanoate
PubChem CID166590786
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name[(E)-ethylideneamino] 2,2-dimethylpropanoate
SMILESC/C=N/OC(=O)C(C)(C)C
InChIInChI=1S/C7H13NO2/c1-5-8-10-6(9)7(2,3)4/h5H,1-4H3/b8-5+
InChIKeyPJXWRFSGSYLMKX-VMPITWQZSA-N
XLogP1.58
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-ethylideneamino] carbamate
CID 141143420
(methylideneamino) 2,2-dimethylpropanoate
CID 141484489
(ethylideneamino) N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)carbamate
CID 78146191
[(E)-3-oxobutan-2-ylideneamino] 2,2-dimethylpropanoate
CID 162411492
acetyl 2,2-dimethylpropanoate;silver
CID 146467098
N-tert-butylethanimine;N-[(E)-ethylideneamino]-2-methylpropan-2-amine;2-methoxy-2-methylpropane;methyl 2,2-dimethylpropanoate;(E)-N-[(2-methylpropan-2-yl)oxy]ethanimine
CID 172983531
1-oxopropan-2-yl 2,2-dimethylpropanoate
CID 87537011
(ethylideneamino) hydrogen carbonate;pyridine
CID 174441096
[(E)-ethylideneamino] benzoate
CID 59571787
(ethylideneamino) tetradecanoate
CID 57011999
lithium;formyl 2,2-dimethylpropanoate;hydride
CID 174785944
ethene;ethenyl 2,2-dimethylpropanoate
CID 159810443

Frequently Asked Questions

What is the IUPAC name of [(E)-ethylideneamino] 2,2-dimethylpropanoate?
The IUPAC name of [(E)-ethylideneamino] 2,2-dimethylpropanoate (CID 166590786) is [(E)-ethylideneamino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(E)-ethylideneamino] 2,2-dimethylpropanoate?
The canonical SMILES for [(E)-ethylideneamino] 2,2-dimethylpropanoate is C/C=N/OC(=O)C(C)(C)C.
What is the InChIKey of [(E)-ethylideneamino] 2,2-dimethylpropanoate?
The InChIKey is PJXWRFSGSYLMKX-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-8-10-6(9)7(2,3)4/h5H,1-4H3/b8-5+.
What are the key properties of [(E)-ethylideneamino] 2,2-dimethylpropanoate?
[(E)-ethylideneamino] 2,2-dimethylpropanoate has a molecular weight of 143.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-ethylideneamino] 2,2-dimethylpropanoate is sourced from PubChem (CID 166590786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).