5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one

C20H21NO — CID 44631650

IUPAC5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one
SMILESCN(C)C1(C)CC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H21NO/c1-20(21(2)3)14-17(15-10-6-4-7-11-15)18(19(20)22)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyLONOQARWTUVJLY-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.89
Rot. Bonds3

About 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one

5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one (PubChem CID 44631650) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one
PubChem CID44631650
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one
SMILESCN(C)C1(C)CC(c2ccccc2)=C(c2ccccc2)C1=O
InChIInChI=1S/C20H21NO/c1-20(21(2)3)14-17(15-10-6-4-7-11-15)18(19(20)22)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3
InChIKeyLONOQARWTUVJLY-UHFFFAOYSA-N
XLogP3.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-2,3-diphenylcyclohex-2-en-1-one
CID 142736509
4,4-dimethyl-2,3-diphenylcyclobut-2-en-1-one
CID 13382755
5-methyl-4-phenyl-1,3-dihydropyrrol-2-one
CID 11469349
2,2-dimethoxy-4,5-diphenylcyclopent-4-ene-1,3-dione
CID 135004291
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
(5S)-5-ethyl-5-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
CID 132501242
1,1,4,4-tetramethyl-3,6-bis[4-(N-phenylanilino)phenyl]pentalene-2,5-dione
CID 118655435
1-chloro-4-(4,4-dimethyl-2-phenylcyclopenten-1-yl)benzene
CID 69123397
benzene;1,1,4,4-tetramethyl-3-[4-(N-methylanilino)phenyl]-6-[4-(N-phenylanilino)phenyl]pentalene-2,5-dione
CID 144723602
6-ethyl-2,2-dimethyl-5-phenyl-1,3-dioxin-4-one
CID 19918947
2,3-diphenylcyclohex-2-en-1-one
CID 2748361
2-benzylsulfonyl-4-(2-hydroxypropan-2-yl)-7,8-diphenyl-2-azaspiro[4.4]non-7-en-9-one
CID 102219443

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one?
The IUPAC name of 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one (CID 44631650) is 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one.
What is the SMILES notation for 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one?
The canonical SMILES for 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one is CN(C)C1(C)CC(c2ccccc2)=C(c2ccccc2)C1=O.
What is the InChIKey of 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one?
The InChIKey is LONOQARWTUVJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-20(21(2)3)14-17(15-10-6-4-7-11-15)18(19(20)22)16-12-8-5-9-13-16/h4-13H,14H2,1-3H3.
What are the key properties of 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one?
5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-5-methyl-2,3-diphenylcyclopent-2-en-1-one is sourced from PubChem (CID 44631650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).