3-methyl-3-oct-6-enoylpiperidin-2-one

C14H23NO2 — CID 172994153

IUPAC3-methyl-3-oct-6-enoylpiperidin-2-one
SMILESCC=CCCCCC(=O)C1(C)CCCNC1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-9-12(16)14(2)10-8-11-15-13(14)17/h3-4H,5-11H2,1-2H3,(H,15,17)
InChIKeyPWGNZXKRKQSZOM-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.61
Rot. Bonds6

About 3-methyl-3-oct-6-enoylpiperidin-2-one

3-methyl-3-oct-6-enoylpiperidin-2-one (PubChem CID 172994153) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methyl-3-oct-6-enoylpiperidin-2-one.

Molecular Properties

Compound Name3-methyl-3-oct-6-enoylpiperidin-2-one
PubChem CID172994153
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methyl-3-oct-6-enoylpiperidin-2-one
SMILESCC=CCCCCC(=O)C1(C)CCCNC1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-9-12(16)14(2)10-8-11-15-13(14)17/h3-4H,5-11H2,1-2H3,(H,15,17)
InChIKeyPWGNZXKRKQSZOM-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpyrrolidin-2-yl)oct-7-en-1-one
CID 107010897
(2Z,19Z)-henicosa-2,19-dien-11-one
CID 170029762
(Z)-non-7-enamide
CID 5365368
(9Z,12Z)-octadeca-9,12-dienoic acid;phosphane;pyrrolidin-2-one
CID 174930070
N,3-dimethyl-2-oxo-N-[(2-oxo-3H-1,3,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 167884886
methyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 132595547
2-[(E)-but-2-enyl]pyrrolidine-2-carboxylic acid
CID 115563173
3,3-diethylpiperidin-2-one
CID 10329495
(E)-undec-9-en-3-one
CID 22074109
(3E)-hexadeca-3,14-dienoic acid
CID 175109549
sodium;hept-5-enoic acid;hydride
CID 174384913
undec-9-eneperoxoic acid
CID 118610001

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-oct-6-enoylpiperidin-2-one?
The IUPAC name of 3-methyl-3-oct-6-enoylpiperidin-2-one (CID 172994153) is 3-methyl-3-oct-6-enoylpiperidin-2-one.
What is the SMILES notation for 3-methyl-3-oct-6-enoylpiperidin-2-one?
The canonical SMILES for 3-methyl-3-oct-6-enoylpiperidin-2-one is CC=CCCCCC(=O)C1(C)CCCNC1=O.
What is the InChIKey of 3-methyl-3-oct-6-enoylpiperidin-2-one?
The InChIKey is PWGNZXKRKQSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-9-12(16)14(2)10-8-11-15-13(14)17/h3-4H,5-11H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-3-oct-6-enoylpiperidin-2-one?
3-methyl-3-oct-6-enoylpiperidin-2-one has a molecular weight of 237.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-oct-6-enoylpiperidin-2-one is sourced from PubChem (CID 172994153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).