ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one

C14H26N2O2 — CID 143432940

IUPACethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1.CC
InChIInChI=1S/C12H20N2O2.C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;1-2/h5H,2-4,6-10H2,1H3;1-2H3
InChIKeySFJURWBDMORFID-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds5

About ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one

ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 143432940) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Nameethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
PubChem CID143432940
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nameethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one
SMILESC=COC(=C)C(=O)N1CCN(CCC)CC1.CC
InChIInChI=1S/C12H20N2O2.C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;1-2/h5H,2-4,6-10H2,1H3;1-2H3
InChIKeySFJURWBDMORFID-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 50
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 ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one (CID 143432940) is ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is C=COC(=C)C(=O)N1CCN(CCC)CC1.CC.
What is the InChIKey of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is SFJURWBDMORFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.C2H6/c1-4-6-13-7-9-14(10-8-13)12(15)11(3)16-5-2;1-2/h5H,2-4,6-10H2,1H3;1-2H3.
What are the key properties of ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one?
ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 254.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenoxy-1-(4-propylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 143432940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).