prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one

C13H19N3O3 — CID 69121422

IUPACprop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CNCCN1C(=O)C=C.C=CC(N)=O
InChIInChI=1S/C10H14N2O2.C3H5NO/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2;1-2-3(4)5/h3-4,8,11H,1-2,5-7H2;2H,1H2,(H2,4,5)
InChIKeyAIFQOUGJSWHBRW-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.61
Rot. Bonds4

About prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one

prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one (PubChem CID 69121422) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Nameprop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
PubChem CID69121422
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameprop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CNCCN1C(=O)C=C.C=CC(N)=O
InChIInChI=1S/C10H14N2O2.C3H5NO/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2;1-2-3(4)5/h3-4,8,11H,1-2,5-7H2;2H,1H2,(H2,4,5)
InChIKeyAIFQOUGJSWHBRW-UHFFFAOYSA-N
XLogP-0.61
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The IUPAC name of prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one (CID 69121422) is prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one.
What is the SMILES notation for prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The canonical SMILES for prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one is C=CC(=O)C1CNCCN1C(=O)C=C.C=CC(N)=O.
What is the InChIKey of prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
The InChIKey is AIFQOUGJSWHBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.C3H5NO/c1-3-9(13)8-7-11-5-6-12(8)10(14)4-2;1-2-3(4)5/h3-4,8,11H,1-2,5-7H2;2H,1H2,(H2,4,5).
What are the key properties of prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one?
prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one has a molecular weight of 265.31 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enamide;1-(1-prop-2-enoylpiperazin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 69121422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).