1-butyl-6-prop-2-enylpiperidin-2-one

C12H21NO — CID 86109717

IUPAC1-butyl-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCC(=O)N1CCCC
InChIInChI=1S/C12H21NO/c1-3-5-10-13-11(7-4-2)8-6-9-12(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyHXPDVGJJPSHXGX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.74
Rot. Bonds5

About 1-butyl-6-prop-2-enylpiperidin-2-one

1-butyl-6-prop-2-enylpiperidin-2-one (PubChem CID 86109717) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-butyl-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name1-butyl-6-prop-2-enylpiperidin-2-one
PubChem CID86109717
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-butyl-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCC(=O)N1CCCC
InChIInChI=1S/C12H21NO/c1-3-5-10-13-11(7-4-2)8-6-9-12(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyHXPDVGJJPSHXGX-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-prop-2-enylpiperidin-2-one?
The IUPAC name of 1-butyl-6-prop-2-enylpiperidin-2-one (CID 86109717) is 1-butyl-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 1-butyl-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for 1-butyl-6-prop-2-enylpiperidin-2-one is C=CCC1CCCC(=O)N1CCCC.
What is the InChIKey of 1-butyl-6-prop-2-enylpiperidin-2-one?
The InChIKey is HXPDVGJJPSHXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-5-10-13-11(7-4-2)8-6-9-12(13)14/h4,11H,2-3,5-10H2,1H3.
What are the key properties of 1-butyl-6-prop-2-enylpiperidin-2-one?
1-butyl-6-prop-2-enylpiperidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 86109717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).