N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide

C9H13NO3 — CID 89044299

IUPACN-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide
SMILESC=CC(=O)NCC(=C)OCC(C)=O
InChIInChI=1S/C9H13NO3/c1-4-9(12)10-5-8(3)13-6-7(2)11/h4H,1,3,5-6H2,2H3,(H,10,12)
InChIKeyABFZCVXNQVJUBK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.41
Rot. Bonds6

About N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide

N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide (PubChem CID 89044299) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide
PubChem CID89044299
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC NameN-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide
SMILESC=CC(=O)NCC(=C)OCC(C)=O
InChIInChI=1S/C9H13NO3/c1-4-9(12)10-5-8(3)13-6-7(2)11/h4H,1,3,5-6H2,2H3,(H,10,12)
InChIKeyABFZCVXNQVJUBK-UHFFFAOYSA-N
XLogP0.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(2-oxopropoxy)prop-2-enyl]prop-2-enamide?
The IUPAC name of N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide (CID 89044299) is N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide.
What is the SMILES notation for N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide?
The canonical SMILES for N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide is C=CC(=O)NCC(=C)OCC(C)=O.
What is the InChIKey of N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide?
The InChIKey is ABFZCVXNQVJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-4-9(12)10-5-8(3)13-6-7(2)11/h4H,1,3,5-6H2,2H3,(H,10,12).
What are the key properties of N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide?
N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide has a molecular weight of 183.21 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxopropoxy)prop-2-enyl]prop-2-enamide is sourced from PubChem (CID 89044299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).