4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione

C15H17NO2 — CID 71425791

IUPAC4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C=Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H17NO2/c1-15(2)10-13(17)16(14(18)11-15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyCQFTXCMJEQTMTE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.83
Rot. Bonds2

About 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione

4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione (PubChem CID 71425791) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
PubChem CID71425791
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
SMILESCC1(C)CC(=O)N(C=Cc2ccccc2)C(=O)C1
InChIInChI=1S/C15H17NO2/c1-15(2)10-13(17)16(14(18)11-15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyCQFTXCMJEQTMTE-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione?
The IUPAC name of 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione (CID 71425791) is 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione is CC1(C)CC(=O)N(C=Cc2ccccc2)C(=O)C1.
What is the InChIKey of 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione?
The InChIKey is CQFTXCMJEQTMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2)10-13(17)16(14(18)11-15)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione?
4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione has a molecular weight of 243.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione is sourced from PubChem (CID 71425791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).