(E)-N-tert-butyl-4,4-dimethylpent-2-enamide

C11H21NO — CID 58790431

IUPAC(E)-N-tert-butyl-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-9(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b8-7+
InChIKeyDLZPTINIKKJUMW-BQYQJAHWSA-N
MW183.29 g/mol
LogP2.50
Rot. Bonds1

About (E)-N-tert-butyl-4,4-dimethylpent-2-enamide

(E)-N-tert-butyl-4,4-dimethylpent-2-enamide (PubChem CID 58790431) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (E)-N-tert-butyl-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-tert-butyl-4,4-dimethylpent-2-enamide
PubChem CID58790431
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(E)-N-tert-butyl-4,4-dimethylpent-2-enamide
SMILESCC(C)(C)/C=C/C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)8-7-9(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b8-7+
InChIKeyDLZPTINIKKJUMW-BQYQJAHWSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-tert-butyl-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-tert-butyl-4,4-dimethylpent-2-enamide (CID 58790431) is (E)-N-tert-butyl-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-tert-butyl-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-tert-butyl-4,4-dimethylpent-2-enamide is CC(C)(C)/C=C/C(=O)NC(C)(C)C.
What is the InChIKey of (E)-N-tert-butyl-4,4-dimethylpent-2-enamide?
The InChIKey is DLZPTINIKKJUMW-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)8-7-9(13)12-11(4,5)6/h7-8H,1-6H3,(H,12,13)/b8-7+.
What are the key properties of (E)-N-tert-butyl-4,4-dimethylpent-2-enamide?
(E)-N-tert-butyl-4,4-dimethylpent-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-tert-butyl-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 58790431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).