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

C11H19NO2 — CID 102207387

IUPAC(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8(2)9(13)12-10(14)11(3,4)5/h7H,6H2,1-5H3,(H,12,13,14)/b8-7+
InChIKeyAQRDLJHXPFKINQ-BQYQJAHWSA-N
MW197.28 g/mol
LogP2.03
Rot. Bonds2

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

(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide (PubChem CID 102207387) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide
PubChem CID102207387
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide
SMILESCC/C=C(\C)C(=O)NC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-6-7-8(2)9(13)12-10(14)11(3,4)5/h7H,6H2,1-5H3,(H,12,13,14)/b8-7+
InChIKeyAQRDLJHXPFKINQ-BQYQJAHWSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.03
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-methylpent-2-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide (CID 102207387) is (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide is CC/C=C(\C)C(=O)NC(=O)C(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide?
The InChIKey is AQRDLJHXPFKINQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H19NO2/c1-6-7-8(2)9(13)12-10(14)11(3,4)5/h7H,6H2,1-5H3,(H,12,13,14)/b8-7+.
What are the key properties of (E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide?
(E)-N-(2,2-dimethylpropanoyl)-2-methylpent-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 2.03, 2 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-methylpent-2-enamide is sourced from PubChem (CID 102207387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).