1-but-3-enyl-6-ethenylpiperidin-2-one

C11H17NO — CID 14942502

IUPAC1-but-3-enyl-6-ethenylpiperidin-2-one
SMILESC=CCCN1C(=O)CCCC1C=C
InChIInChI=1S/C11H17NO/c1-3-5-9-12-10(4-2)7-6-8-11(12)13/h3-4,10H,1-2,5-9H2
InChIKeyUDSDAVZNLZPKLE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.13
Rot. Bonds4

About 1-but-3-enyl-6-ethenylpiperidin-2-one

1-but-3-enyl-6-ethenylpiperidin-2-one (PubChem CID 14942502) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-but-3-enyl-6-ethenylpiperidin-2-one.

Molecular Properties

Compound Name1-but-3-enyl-6-ethenylpiperidin-2-one
PubChem CID14942502
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-but-3-enyl-6-ethenylpiperidin-2-one
SMILESC=CCCN1C(=O)CCCC1C=C
InChIInChI=1S/C11H17NO/c1-3-5-9-12-10(4-2)7-6-8-11(12)13/h3-4,10H,1-2,5-9H2
InChIKeyUDSDAVZNLZPKLE-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.13
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-but-3-enyl-6-ethenylpiperidin-2-one?
The IUPAC name of 1-but-3-enyl-6-ethenylpiperidin-2-one (CID 14942502) is 1-but-3-enyl-6-ethenylpiperidin-2-one.
What is the SMILES notation for 1-but-3-enyl-6-ethenylpiperidin-2-one?
The canonical SMILES for 1-but-3-enyl-6-ethenylpiperidin-2-one is C=CCCN1C(=O)CCCC1C=C.
What is the InChIKey of 1-but-3-enyl-6-ethenylpiperidin-2-one?
The InChIKey is UDSDAVZNLZPKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-9-12-10(4-2)7-6-8-11(12)13/h3-4,10H,1-2,5-9H2.
What are the key properties of 1-but-3-enyl-6-ethenylpiperidin-2-one?
1-but-3-enyl-6-ethenylpiperidin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-6-ethenylpiperidin-2-one is sourced from PubChem (CID 14942502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).