(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide

C12H19NO2 — CID 162406207

IUPAC(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide
SMILESC=CCC(C)(C)CNC(=O)/C=C/C(C)=O
InChIInChI=1S/C12H19NO2/c1-5-8-12(3,4)9-13-11(15)7-6-10(2)14/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b7-6+
InChIKeyZOYTZDQZEOTOCW-VOTSOKGWSA-N
MW209.29 g/mol
LogP1.85
Rot. Bonds6

About (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide

(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide (PubChem CID 162406207) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide
PubChem CID162406207
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide
SMILESC=CCC(C)(C)CNC(=O)/C=C/C(C)=O
InChIInChI=1S/C12H19NO2/c1-5-8-12(3,4)9-13-11(15)7-6-10(2)14/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b7-6+
InChIKeyZOYTZDQZEOTOCW-VOTSOKGWSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-dimethylpent-4-enyl)-4-oxopent-2-enamide?
The IUPAC name of (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide (CID 162406207) is (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide.
What is the SMILES notation for (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide?
The canonical SMILES for (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide is C=CCC(C)(C)CNC(=O)/C=C/C(C)=O.
What is the InChIKey of (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide?
The InChIKey is ZOYTZDQZEOTOCW-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-8-12(3,4)9-13-11(15)7-6-10(2)14/h5-7H,1,8-9H2,2-4H3,(H,13,15)/b7-6+.
What are the key properties of (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide?
(E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide has a molecular weight of 209.29 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpent-4-enyl)-4-oxopent-2-enamide is sourced from PubChem (CID 162406207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).