N-(1-oxopentan-2-yl)prop-2-enamide

C8H13NO2 — CID 56621460

IUPACN-(1-oxopentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C=O)CCC
InChIInChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h4,6-7H,2-3,5H2,1H3,(H,9,11)
InChIKeyOKPZLQXJLJMFNA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.66
Rot. Bonds5

About N-(1-oxopentan-2-yl)prop-2-enamide

N-(1-oxopentan-2-yl)prop-2-enamide (PubChem CID 56621460) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(1-oxopentan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-oxopentan-2-yl)prop-2-enamide
PubChem CID56621460
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(1-oxopentan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C=O)CCC
InChIInChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h4,6-7H,2-3,5H2,1H3,(H,9,11)
InChIKeyOKPZLQXJLJMFNA-UHFFFAOYSA-N
XLogP0.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-oxopentan-2-yl)prop-2-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-(1-oxopentan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-oxopentan-2-yl)prop-2-enamide (CID 56621460) is N-(1-oxopentan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-oxopentan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-oxopentan-2-yl)prop-2-enamide is C=CC(=O)NC(C=O)CCC.
What is the InChIKey of N-(1-oxopentan-2-yl)prop-2-enamide?
The InChIKey is OKPZLQXJLJMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-7(6-10)9-8(11)4-2/h4,6-7H,2-3,5H2,1H3,(H,9,11).
What are the key properties of N-(1-oxopentan-2-yl)prop-2-enamide?
N-(1-oxopentan-2-yl)prop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxopentan-2-yl)prop-2-enamide is sourced from PubChem (CID 56621460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).