N-tert-butylpent-4-enamide

C9H17NO — CID 59409481

IUPACN-tert-butylpent-4-enamide
SMILESC=CCCC(=O)NC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8(11)10-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyJWGGPYQSPYYDPF-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds3

About N-tert-butylpent-4-enamide

N-tert-butylpent-4-enamide (PubChem CID 59409481) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-tert-butylpent-4-enamide.

Molecular Properties

Compound NameN-tert-butylpent-4-enamide
PubChem CID59409481
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-tert-butylpent-4-enamide
SMILESC=CCCC(=O)NC(C)(C)C
InChIInChI=1S/C9H17NO/c1-5-6-7-8(11)10-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyJWGGPYQSPYYDPF-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-tert-butylpent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butylpent-4-enamide?
The IUPAC name of N-tert-butylpent-4-enamide (CID 59409481) is N-tert-butylpent-4-enamide.
What is the SMILES notation for N-tert-butylpent-4-enamide?
The canonical SMILES for N-tert-butylpent-4-enamide is C=CCCC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butylpent-4-enamide?
The InChIKey is JWGGPYQSPYYDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-6-7-8(11)10-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-tert-butylpent-4-enamide?
N-tert-butylpent-4-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpent-4-enamide is sourced from PubChem (CID 59409481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).