N-(4-aminopent-4-enyl)propanamide

C8H16N2O — CID 126589543

IUPACN-(4-aminopent-4-enyl)propanamide
SMILESC=C(N)CCCNC(=O)CC
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-7(2)9/h2-6,9H2,1H3,(H,10,11)
InChIKeyPCUPZQTVPNKCKU-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.77
Rot. Bonds5

About N-(4-aminopent-4-enyl)propanamide

N-(4-aminopent-4-enyl)propanamide (PubChem CID 126589543) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-(4-aminopent-4-enyl)propanamide.

Molecular Properties

Compound NameN-(4-aminopent-4-enyl)propanamide
PubChem CID126589543
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-(4-aminopent-4-enyl)propanamide
SMILESC=C(N)CCCNC(=O)CC
InChIInChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-7(2)9/h2-6,9H2,1H3,(H,10,11)
InChIKeyPCUPZQTVPNKCKU-UHFFFAOYSA-N
XLogP0.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-aminopent-4-enyl)propanamide 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-(4-aminopent-4-enyl)propanamide?
The IUPAC name of N-(4-aminopent-4-enyl)propanamide (CID 126589543) is N-(4-aminopent-4-enyl)propanamide.
What is the SMILES notation for N-(4-aminopent-4-enyl)propanamide?
The canonical SMILES for N-(4-aminopent-4-enyl)propanamide is C=C(N)CCCNC(=O)CC.
What is the InChIKey of N-(4-aminopent-4-enyl)propanamide?
The InChIKey is PCUPZQTVPNKCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-8(11)10-6-4-5-7(2)9/h2-6,9H2,1H3,(H,10,11).
What are the key properties of N-(4-aminopent-4-enyl)propanamide?
N-(4-aminopent-4-enyl)propanamide has a molecular weight of 156.23 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopent-4-enyl)propanamide is sourced from PubChem (CID 126589543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).