3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one

C14H23NO — CID 91555167

IUPAC3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one
SMILESC=C1CC(C=CCC(C)C(C)=O)CCN1C
InChIInChI=1S/C14H23NO/c1-11(13(3)16)6-5-7-14-8-9-15(4)12(2)10-14/h5,7,11,14H,2,6,8-10H2,1,3-4H3
InChIKeyCKLZTMKUCUZXLL-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.01
Rot. Bonds4

About 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one

3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one (PubChem CID 91555167) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one.

Molecular Properties

Compound Name3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one
PubChem CID91555167
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one
SMILESC=C1CC(C=CCC(C)C(C)=O)CCN1C
InChIInChI=1S/C14H23NO/c1-11(13(3)16)6-5-7-14-8-9-15(4)12(2)10-14/h5,7,11,14H,2,6,8-10H2,1,3-4H3
InChIKeyCKLZTMKUCUZXLL-UHFFFAOYSA-N
XLogP3.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one?
The IUPAC name of 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one (CID 91555167) is 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one.
What is the SMILES notation for 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one?
The canonical SMILES for 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one is C=C1CC(C=CCC(C)C(C)=O)CCN1C.
What is the InChIKey of 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one?
The InChIKey is CKLZTMKUCUZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(13(3)16)6-5-7-14-8-9-15(4)12(2)10-14/h5,7,11,14H,2,6,8-10H2,1,3-4H3.
What are the key properties of 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one?
3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(1-methyl-2-methylidenepiperidin-4-yl)hex-5-en-2-one is sourced from PubChem (CID 91555167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).