(E)-N,4,4-trimethylpent-2-enamide

C8H15NO — CID 58787397

IUPAC(E)-N,4,4-trimethylpent-2-enamide
SMILESCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C8H15NO/c1-8(2,3)6-5-7(10)9-4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyZCOSFRHJMDLMTN-AATRIKPKSA-N
MW141.21 g/mol
LogP1.33
Rot. Bonds1

About (E)-N,4,4-trimethylpent-2-enamide

(E)-N,4,4-trimethylpent-2-enamide (PubChem CID 58787397) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (E)-N,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-N,4,4-trimethylpent-2-enamide
PubChem CID58787397
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(E)-N,4,4-trimethylpent-2-enamide
SMILESCNC(=O)/C=C/C(C)(C)C
InChIInChI=1S/C8H15NO/c1-8(2,3)6-5-7(10)9-4/h5-6H,1-4H3,(H,9,10)/b6-5+
InChIKeyZCOSFRHJMDLMTN-AATRIKPKSA-N
XLogP1.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.33
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,4,4-trimethylpent-2-enamide?
The IUPAC name of (E)-N,4,4-trimethylpent-2-enamide (CID 58787397) is (E)-N,4,4-trimethylpent-2-enamide.
What is the SMILES notation for (E)-N,4,4-trimethylpent-2-enamide?
The canonical SMILES for (E)-N,4,4-trimethylpent-2-enamide is CNC(=O)/C=C/C(C)(C)C.
What is the InChIKey of (E)-N,4,4-trimethylpent-2-enamide?
The InChIKey is ZCOSFRHJMDLMTN-AATRIKPKSA-N. The full InChI is InChI=1S/C8H15NO/c1-8(2,3)6-5-7(10)9-4/h5-6H,1-4H3,(H,9,10)/b6-5+.
What are the key properties of (E)-N,4,4-trimethylpent-2-enamide?
(E)-N,4,4-trimethylpent-2-enamide has a molecular weight of 141.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 58787397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).