(E)-N-ethyl-4,4-dimethylpent-2-enamide

C9H17NO — CID 127126194

IUPAC(E)-N-ethyl-4,4-dimethylpent-2-enamide
SMILESCCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-10-8(11)6-7-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+
InChIKeyDBEVDIZNSPHLJU-VOTSOKGWSA-N
MW155.24 g/mol
LogP1.72
Rot. Bonds2

About (E)-N-ethyl-4,4-dimethylpent-2-enamide

(E)-N-ethyl-4,4-dimethylpent-2-enamide (PubChem CID 127126194) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (E)-N-ethyl-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-4,4-dimethylpent-2-enamide
PubChem CID127126194
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(E)-N-ethyl-4,4-dimethylpent-2-enamide
SMILESCCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-10-8(11)6-7-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+
InChIKeyDBEVDIZNSPHLJU-VOTSOKGWSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.72
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-ethyl-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-N-ethyl-4,4-dimethylpent-2-enamide (CID 127126194) is (E)-N-ethyl-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-N-ethyl-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-N-ethyl-4,4-dimethylpent-2-enamide is CCNC(=O)/C=C/C(C)(C)C.
What is the InChIKey of (E)-N-ethyl-4,4-dimethylpent-2-enamide?
The InChIKey is DBEVDIZNSPHLJU-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-10-8(11)6-7-9(2,3)4/h6-7H,5H2,1-4H3,(H,10,11)/b7-6+.
What are the key properties of (E)-N-ethyl-4,4-dimethylpent-2-enamide?
(E)-N-ethyl-4,4-dimethylpent-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 127126194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).