1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one

C14H22N2O2 — CID 70415599

IUPAC1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.C=CN1CCCC1=O
InChIInChI=1S/C8H13NO.C6H9NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-7-5-3-4-6(7)8/h2H,1,3-7H2;2H,1,3-5H2
InChIKeyUHSQJBTZXAALDQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.94
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one

1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one (PubChem CID 70415599) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one
PubChem CID70415599
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.C=CN1CCCC1=O
InChIInChI=1S/C8H13NO.C6H9NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-7-5-3-4-6(7)8/h2H,1,3-7H2;2H,1,3-5H2
InChIKeyUHSQJBTZXAALDQ-UHFFFAOYSA-N
XLogP1.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one (CID 70415599) is 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one is C=CC(=O)N1CCCCC1.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is UHSQJBTZXAALDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C6H9NO/c1-2-8(10)9-6-4-3-5-7-9;1-2-7-5-3-4-6(7)8/h2H,1,3-7H2;2H,1,3-5H2.
What are the key properties of 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one?
1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 70415599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).