1,2-bis(prop-2-enyl)piperidin-3-one

C11H17NO — CID 58105013

IUPAC1,2-bis(prop-2-enyl)piperidin-3-one
SMILESC=CCC1C(=O)CCCN1CC=C
InChIInChI=1S/C11H17NO/c1-3-6-10-11(13)7-5-9-12(10)8-4-2/h3-4,10H,1-2,5-9H2
InChIKeyXXFCHEBQEBANAZ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.78
Rot. Bonds4

About 1,2-bis(prop-2-enyl)piperidin-3-one

1,2-bis(prop-2-enyl)piperidin-3-one (PubChem CID 58105013) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)piperidin-3-one.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)piperidin-3-one
PubChem CID58105013
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1,2-bis(prop-2-enyl)piperidin-3-one
SMILESC=CCC1C(=O)CCCN1CC=C
InChIInChI=1S/C11H17NO/c1-3-6-10-11(13)7-5-9-12(10)8-4-2/h3-4,10H,1-2,5-9H2
InChIKeyXXFCHEBQEBANAZ-UHFFFAOYSA-N
XLogP1.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Prop-2-enylpiperidin-3-one
CID 91188457
1-Methyl-2-(2-propen-1-yl)-4-piperidinone
CID 21922750
(3S)-3-piperidin-1-yldec-9-en-2-one
CID 59578332
(2S)-1-methyl-2-prop-2-enylpiperidin-4-one
CID 59905848
1-Oct-1-en-3-ylpiperidin-4-one
CID 70617366
1-Pentyl-2-prop-2-enylpiperidin-4-one
CID 70617367
3-Oxo-2-prop-2-enylpiperidine-1-carbaldehyde
CID 88293461
1-(2-Ethylpiperidin-1-yl)pent-4-en-2-one
CID 89392455
(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one
CID 118887081
1-Piperidin-1-ylpent-4-en-2-one
CID 139565718
1-Phosphanyl-2-prop-2-enylpiperidin-3-one
CID 169968947
4-Piperidin-1-ylcyclonon-5-en-1-one
CID 175904858

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)piperidin-3-one?
The IUPAC name of 1,2-bis(prop-2-enyl)piperidin-3-one (CID 58105013) is 1,2-bis(prop-2-enyl)piperidin-3-one.
What is the SMILES notation for 1,2-bis(prop-2-enyl)piperidin-3-one?
The canonical SMILES for 1,2-bis(prop-2-enyl)piperidin-3-one is C=CCC1C(=O)CCCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)piperidin-3-one?
The InChIKey is XXFCHEBQEBANAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-10-11(13)7-5-9-12(10)8-4-2/h3-4,10H,1-2,5-9H2.
What are the key properties of 1,2-bis(prop-2-enyl)piperidin-3-one?
1,2-bis(prop-2-enyl)piperidin-3-one has a molecular weight of 179.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)piperidin-3-one is sourced from PubChem (CID 58105013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).