1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one

C11H19NO — CID 59107116

IUPAC1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)C1C(C)CN(C)C(=O)C1C
InChIInChI=1S/C11H19NO/c1-7(2)10-8(3)6-12(5)11(13)9(10)4/h8-10H,1,6H2,2-5H3
InChIKeyUHJYZCJVODYZEI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.92
Rot. Bonds1

About 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one

1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one (PubChem CID 59107116) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one.

Molecular Properties

Compound Name1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one
PubChem CID59107116
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one
SMILESC=C(C)C1C(C)CN(C)C(=O)C1C
InChIInChI=1S/C11H19NO/c1-7(2)10-8(3)6-12(5)11(13)9(10)4/h8-10H,1,6H2,2-5H3
InChIKeyUHJYZCJVODYZEI-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
2-[(3R,4S)-1-acetyl-3-ethenylpiperidin-4-yl]acetaldehyde
CID 22794035
1-(4-Prop-1-en-2-ylpiperidin-1-yl)ethanone
CID 89385966
3,4-Dimethyl-5-methylidene-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 117883296
1-Methyl-3-prop-2-enylpiperidin-2-one
CID 15013936
1-Methyl-3-pent-4-enylpiperidin-2-one
CID 11789834
1-Methyl-3,3-bis(prop-2-enyl)piperidin-2-one
CID 86255490
3-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine
CID 3053001
4-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine
CID 3053002
1-(3,7-Dimethyl-6-octenoyl)piperidine
CID 10977478
2-Ethyl-2-methyl-1-(3-methylidenepiperidin-1-yl)butan-1-one
CID 14248702
5,5-Dimethyl-3-methylidene-1-propylpiperidin-2-one
CID 14356470

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one?
The IUPAC name of 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one (CID 59107116) is 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one.
What is the SMILES notation for 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one?
The canonical SMILES for 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one is C=C(C)C1C(C)CN(C)C(=O)C1C.
What is the InChIKey of 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one?
The InChIKey is UHJYZCJVODYZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)10-8(3)6-12(5)11(13)9(10)4/h8-10H,1,6H2,2-5H3.
What are the key properties of 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one?
1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-prop-1-en-2-ylpiperidin-2-one is sourced from PubChem (CID 59107116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).