1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one

C15H24N2O3 — CID 174873482

IUPAC1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(C)CCO1.C=CN1CCCCC1=O
InChIInChI=1S/C8H13NO2.C7H11NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-8-6-4-3-5-7(8)9/h3,8H,1,4-6H2,2H3;2H,1,3-6H2
InChIKeyHSUBVABQVSODFU-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.21
Rot. Bonds3

About 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one

1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one (PubChem CID 174873482) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one
PubChem CID174873482
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one
SMILESC=CC(=O)C1CN(C)CCO1.C=CN1CCCCC1=O
InChIInChI=1S/C8H13NO2.C7H11NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-8-6-4-3-5-7(8)9/h3,8H,1,4-6H2,2H3;2H,1,3-6H2
InChIKeyHSUBVABQVSODFU-UHFFFAOYSA-N
XLogP1.21
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
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 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one?
The IUPAC name of 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one (CID 174873482) is 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one.
What is the SMILES notation for 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one?
The canonical SMILES for 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one is C=CC(=O)C1CN(C)CCO1.C=CN1CCCCC1=O.
What is the InChIKey of 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one?
The InChIKey is HSUBVABQVSODFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C7H11NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-8-6-4-3-5-7(8)9/h3,8H,1,4-6H2,2H3;2H,1,3-6H2.
What are the key properties of 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one?
1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one is sourced from PubChem (CID 174873482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).