4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one

C15H19NO — CID 57248278

IUPAC4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one
SMILESCN(C)C1=CC(Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO/c1-16(2)14-11-13(8-9-15(14)17)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyFNWFVGVXQTWVKY-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.65
Rot. Bonds3

About 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one

4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one (PubChem CID 57248278) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one
PubChem CID57248278
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one
SMILESCN(C)C1=CC(Cc2ccccc2)CCC1=O
InChIInChI=1S/C15H19NO/c1-16(2)14-11-13(8-9-15(14)17)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3
InChIKeyFNWFVGVXQTWVKY-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(5R)-5-benzylpyrrolidin-2-one
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CID 115240273
cyclopropylmethylbenzene;ethane;methane
CID 142248267
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CID 22319830
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CID 14129470
4-benzyl-3-methyloxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one?
The IUPAC name of 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one (CID 57248278) is 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one is CN(C)C1=CC(Cc2ccccc2)CCC1=O.
What is the InChIKey of 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one?
The InChIKey is FNWFVGVXQTWVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-16(2)14-11-13(8-9-15(14)17)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3.
What are the key properties of 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one?
4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(dimethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 57248278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).