N-[2-(prop-2-enoylamino)propyl]prop-2-enamide

C9H14N2O2 — CID 14877244

IUPACN-[2-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)NC(=O)C=C
InChIInChI=1S/C9H14N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12)(H,11,13)
InChIKeyUBTYFVJZTZYJHZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.02
Rot. Bonds5

About N-[2-(prop-2-enoylamino)propyl]prop-2-enamide

N-[2-(prop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 14877244) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-[2-(prop-2-enoylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(prop-2-enoylamino)propyl]prop-2-enamide
PubChem CID14877244
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-[2-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)NC(=O)C=C
InChIInChI=1S/C9H14N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12)(H,11,13)
InChIKeyUBTYFVJZTZYJHZ-UHFFFAOYSA-N
XLogP-0.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(prop-2-enoylamino)propyl]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-[2-(prop-2-enoylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-(prop-2-enoylamino)propyl]prop-2-enamide (CID 14877244) is N-[2-(prop-2-enoylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-(prop-2-enoylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-(prop-2-enoylamino)propyl]prop-2-enamide is C=CC(=O)NCC(C)NC(=O)C=C.
What is the InChIKey of N-[2-(prop-2-enoylamino)propyl]prop-2-enamide?
The InChIKey is UBTYFVJZTZYJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-8(12)10-6-7(3)11-9(13)5-2/h4-5,7H,1-2,6H2,3H3,(H,10,12)(H,11,13).
What are the key properties of N-[2-(prop-2-enoylamino)propyl]prop-2-enamide?
N-[2-(prop-2-enoylamino)propyl]prop-2-enamide has a molecular weight of 182.22 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enoylamino)propyl]prop-2-enamide is sourced from PubChem (CID 14877244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).