1-methyl-3-pent-4-enylpiperidin-2-one

C11H19NO — CID 11789834

IUPAC1-methyl-3-pent-4-enylpiperidin-2-one
SMILESC=CCCCC1CCCN(C)C1=O
InChIInChI=1S/C11H19NO/c1-3-4-5-7-10-8-6-9-12(2)11(10)13/h3,10H,1,4-9H2,2H3
InChIKeyLNCLUBLBMIAPMS-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.21
Rot. Bonds4

About 1-methyl-3-pent-4-enylpiperidin-2-one

1-methyl-3-pent-4-enylpiperidin-2-one (PubChem CID 11789834) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-methyl-3-pent-4-enylpiperidin-2-one.

Molecular Properties

Compound Name1-methyl-3-pent-4-enylpiperidin-2-one
PubChem CID11789834
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-methyl-3-pent-4-enylpiperidin-2-one
SMILESC=CCCCC1CCCN(C)C1=O
InChIInChI=1S/C11H19NO/c1-3-4-5-7-10-8-6-9-12(2)11(10)13/h3,10H,1,4-9H2,2H3
InChIKeyLNCLUBLBMIAPMS-UHFFFAOYSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.21
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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Related Compounds

1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
3-(4-Pentenyl)-2-piperidinone
CID 373271
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
1-(1-Piperidinyl)-10-undecen-1-one
CID 21236878
(S)-1-Acetyl-3-allyl-3-methylpiperidin-2-one
CID 53495089
N-oleoyl-4-methylpiperidin
CID 70607554
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 39969447
1-Fluoro-3-prop-2-enylpiperidin-2-one
CID 140743086
N,N-diethylcyclohex-3-ene-1-carboxamide
CID 304105
1-[2,2-Bis(prop-2-enyl)piperidin-1-yl]ethanone
CID 12115256
1-Methyl-3-prop-2-enylpiperidin-2-one
CID 15013936
1-[(2S,3R)-2-ethenyl-3-ethylpiperidin-1-yl]propan-1-one
CID 11830334

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pent-4-enylpiperidin-2-one?
The IUPAC name of 1-methyl-3-pent-4-enylpiperidin-2-one (CID 11789834) is 1-methyl-3-pent-4-enylpiperidin-2-one.
What is the SMILES notation for 1-methyl-3-pent-4-enylpiperidin-2-one?
The canonical SMILES for 1-methyl-3-pent-4-enylpiperidin-2-one is C=CCCCC1CCCN(C)C1=O.
What is the InChIKey of 1-methyl-3-pent-4-enylpiperidin-2-one?
The InChIKey is LNCLUBLBMIAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-5-7-10-8-6-9-12(2)11(10)13/h3,10H,1,4-9H2,2H3.
What are the key properties of 1-methyl-3-pent-4-enylpiperidin-2-one?
1-methyl-3-pent-4-enylpiperidin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pent-4-enylpiperidin-2-one is sourced from PubChem (CID 11789834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).