N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide

C9H12N2O3 — CID 13130396

IUPACN-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NC(NC(=O)C=C)C(C)=O
InChIInChI=1S/C9H12N2O3/c1-4-7(13)10-9(6(3)12)11-8(14)5-2/h4-5,9H,1-2H2,3H3,(H,10,13)(H,11,14)
InChIKeyZYSHJTJKEVSLOF-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.49
Rot. Bonds5

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

N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 13130396) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide
PubChem CID13130396
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NC(NC(=O)C=C)C(C)=O
InChIInChI=1S/C9H12N2O3/c1-4-7(13)10-9(6(3)12)11-8(14)5-2/h4-5,9H,1-2H2,3H3,(H,10,13)(H,11,14)
InChIKeyZYSHJTJKEVSLOF-UHFFFAOYSA-N
XLogP-0.49
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide (CID 13130396) is N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide is C=CC(=O)NC(NC(=O)C=C)C(C)=O.
What is the InChIKey of N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide?
The InChIKey is ZYSHJTJKEVSLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-4-7(13)10-9(6(3)12)11-8(14)5-2/h4-5,9H,1-2H2,3H3,(H,10,13)(H,11,14).
What are the key properties of N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide?
N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide has a molecular weight of 196.21 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-(prop-2-enoylamino)propyl]prop-2-enamide is sourced from PubChem (CID 13130396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).