5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one

C17H22N2O — CID 170102732

IUPAC5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
SMILESC=Cc1ccc(C)cc1CN(C)C1CCC(=O)NC1=C
InChIInChI=1S/C17H22N2O/c1-5-14-7-6-12(2)10-15(14)11-19(4)16-8-9-17(20)18-13(16)3/h5-7,10,16H,1,3,8-9,11H2,2,4H3,(H,18,20)
InChIKeyPCHLPSOMGWWMRK-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.86
Rot. Bonds4

About 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one

5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one (PubChem CID 170102732) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one.

Molecular Properties

Compound Name5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
PubChem CID170102732
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one
SMILESC=Cc1ccc(C)cc1CN(C)C1CCC(=O)NC1=C
InChIInChI=1S/C17H22N2O/c1-5-14-7-6-12(2)10-15(14)11-19(4)16-8-9-17(20)18-13(16)3/h5-7,10,16H,1,3,8-9,11H2,2,4H3,(H,18,20)
InChIKeyPCHLPSOMGWWMRK-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one?
The IUPAC name of 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one (CID 170102732) is 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one.
What is the SMILES notation for 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one?
The canonical SMILES for 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one is C=Cc1ccc(C)cc1CN(C)C1CCC(=O)NC1=C.
What is the InChIKey of 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one?
The InChIKey is PCHLPSOMGWWMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-14-7-6-12(2)10-15(14)11-19(4)16-8-9-17(20)18-13(16)3/h5-7,10,16H,1,3,8-9,11H2,2,4H3,(H,18,20).
What are the key properties of 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one?
5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one has a molecular weight of 270.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethenyl-5-methylphenyl)methyl-methylamino]-6-methylidenepiperidin-2-one is sourced from PubChem (CID 170102732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).