3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

C21H25NO — CID 11645209

IUPAC3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1CC1CCN(C(C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-15-8-7-9-16(2)20(15)14-19-12-13-22(21(19)23)17(3)18-10-5-4-6-11-18/h4-11,17,19H,12-14H2,1-3H3
InChIKeyASCHGEWQWXHBQN-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.46
Rot. Bonds4

About 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one

3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 11645209) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID11645209
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCc1cccc(C)c1CC1CCN(C(C)c2ccccc2)C1=O
InChIInChI=1S/C21H25NO/c1-15-8-7-9-16(2)20(15)14-19-12-13-22(21(19)23)17(3)18-10-5-4-6-11-18/h4-11,17,19H,12-14H2,1-3H3
InChIKeyASCHGEWQWXHBQN-UHFFFAOYSA-N
XLogP4.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(2,6-dimethylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741151
3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11716286
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145
(3S)-3-[2-(2-methylphenyl)ethyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741264
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741173
(3S)-3-(cyclohepta-1,3,6-trien-1-ylmethyl)-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 143132369
3-[1-(2-methylphenyl)ethyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11695230
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 11645209) is 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is Cc1cccc(C)c1CC1CCN(C(C)c2ccccc2)C1=O.
What is the InChIKey of 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is ASCHGEWQWXHBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-15-8-7-9-16(2)20(15)14-19-12-13-22(21(19)23)17(3)18-10-5-4-6-11-18/h4-11,17,19H,12-14H2,1-3H3.
What are the key properties of 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one?
3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 307.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 11645209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).