(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide

C10H17NO2 — CID 45119422

IUPAC(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(2)8(12)11-9(13)10(3,4)5/h6H,1-5H3,(H,11,12,13)/b7-6+
InChIKeyVAOOCAUEBIWFCD-VOTSOKGWSA-N
MW183.25 g/mol
LogP1.64
Rot. Bonds1

About (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide

(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide (PubChem CID 45119422) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide
PubChem CID45119422
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C10H17NO2/c1-6-7(2)8(12)11-9(13)10(3,4)5/h6H,1-5H3,(H,11,12,13)/b7-6+
InChIKeyVAOOCAUEBIWFCD-VOTSOKGWSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide (CID 45119422) is (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide is C/C=C(\C)C(=O)NC(=O)C(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide?
The InChIKey is VAOOCAUEBIWFCD-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7(2)8(12)11-9(13)10(3,4)5/h6H,1-5H3,(H,11,12,13)/b7-6+.
What are the key properties of (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide?
(E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropanoyl)-2-methylbut-2-enamide is sourced from PubChem (CID 45119422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).