N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide

C8H12N2O2 — CID 12600526

IUPACN-[1-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)NC(=O)C=C
InChIInChI=1S/C8H12N2O2/c1-4-7(11)9-6(3)10-8(12)5-2/h4-6H,1-2H2,3H3,(H,9,11)(H,10,12)
InChIKeyJRRUOOPFYPGMAE-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.06
Rot. Bonds4

About N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide

N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide (PubChem CID 12600526) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(prop-2-enoylamino)ethyl]prop-2-enamide
PubChem CID12600526
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-[1-(prop-2-enoylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(C)NC(=O)C=C
InChIInChI=1S/C8H12N2O2/c1-4-7(11)9-6(3)10-8(12)5-2/h4-6H,1-2H2,3H3,(H,9,11)(H,10,12)
InChIKeyJRRUOOPFYPGMAE-UHFFFAOYSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(prop-2-enoylamino)ethyl]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-(prop-2-enoylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide (CID 12600526) is N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide is C=CC(=O)NC(C)NC(=O)C=C.
What is the InChIKey of N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide?
The InChIKey is JRRUOOPFYPGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7(11)9-6(3)10-8(12)5-2/h4-6H,1-2H2,3H3,(H,9,11)(H,10,12).
What are the key properties of N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide?
N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide has a molecular weight of 168.20 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(prop-2-enoylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 12600526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).