6-ethenyl-1-pent-4-enylpiperidin-2-one

C12H19NO — CID 131874685

IUPAC6-ethenyl-1-pent-4-enylpiperidin-2-one
SMILESC=CCCCN1C(=O)CCCC1C=C
InChIInChI=1S/C12H19NO/c1-3-5-6-10-13-11(4-2)8-7-9-12(13)14/h3-4,11H,1-2,5-10H2
InChIKeyMGBIXSQBLXABDW-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.52
Rot. Bonds5

About 6-ethenyl-1-pent-4-enylpiperidin-2-one

6-ethenyl-1-pent-4-enylpiperidin-2-one (PubChem CID 131874685) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-ethenyl-1-pent-4-enylpiperidin-2-one.

Molecular Properties

Compound Name6-ethenyl-1-pent-4-enylpiperidin-2-one
PubChem CID131874685
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-ethenyl-1-pent-4-enylpiperidin-2-one
SMILESC=CCCCN1C(=O)CCCC1C=C
InChIInChI=1S/C12H19NO/c1-3-5-6-10-13-11(4-2)8-7-9-12(13)14/h3-4,11H,1-2,5-10H2
InChIKeyMGBIXSQBLXABDW-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-pent-4-enylpiperidin-2-one?
The IUPAC name of 6-ethenyl-1-pent-4-enylpiperidin-2-one (CID 131874685) is 6-ethenyl-1-pent-4-enylpiperidin-2-one.
What is the SMILES notation for 6-ethenyl-1-pent-4-enylpiperidin-2-one?
The canonical SMILES for 6-ethenyl-1-pent-4-enylpiperidin-2-one is C=CCCCN1C(=O)CCCC1C=C.
What is the InChIKey of 6-ethenyl-1-pent-4-enylpiperidin-2-one?
The InChIKey is MGBIXSQBLXABDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-5-6-10-13-11(4-2)8-7-9-12(13)14/h3-4,11H,1-2,5-10H2.
What are the key properties of 6-ethenyl-1-pent-4-enylpiperidin-2-one?
6-ethenyl-1-pent-4-enylpiperidin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-pent-4-enylpiperidin-2-one is sourced from PubChem (CID 131874685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).