1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one

C13H20N2O2 — CID 22992740

IUPAC1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=CN1CCCCC1=O
InChIInChI=1S/C7H11NO.C6H9NO/c1-2-8-6-4-3-5-7(8)9;1-2-7-5-3-4-6(7)8/h2H,1,3-6H2;2H,1,3-5H2
InChIKeyBFBWJOBGGWAPQC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.89
Rot. Bonds2

About 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one

1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one (PubChem CID 22992740) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
PubChem CID22992740
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.C=CN1CCCCC1=O
InChIInChI=1S/C7H11NO.C6H9NO/c1-2-8-6-4-3-5-7(8)9;1-2-7-5-3-4-6(7)8/h2H,1,3-6H2;2H,1,3-5H2
InChIKeyBFBWJOBGGWAPQC-UHFFFAOYSA-N
XLogP1.89
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one?
The IUPAC name of 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one (CID 22992740) is 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one is C=CN1CCCC1=O.C=CN1CCCCC1=O.
What is the InChIKey of 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one?
The InChIKey is BFBWJOBGGWAPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C6H9NO/c1-2-8-6-4-3-5-7(8)9;1-2-7-5-3-4-6(7)8/h2H,1,3-6H2;2H,1,3-5H2.
What are the key properties of 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one?
1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpiperidin-2-one;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 22992740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).