3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one

C21H23NO — CID 151872014

IUPAC3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one
SMILESC=C(C(C)c1ccccc1)N1CCC(Cc2ccccc2)C1=O
InChIInChI=1S/C21H23NO/c1-16(19-11-7-4-8-12-19)17(2)22-14-13-20(21(22)23)15-18-9-5-3-6-10-18/h3-12,16,20H,2,13-15H2,1H3
InChIKeySMWSKMKDCAZWAP-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.39
Rot. Bonds5

About 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one

3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one (PubChem CID 151872014) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one
PubChem CID151872014
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one
SMILESC=C(C(C)c1ccccc1)N1CCC(Cc2ccccc2)C1=O
InChIInChI=1S/C21H23NO/c1-16(19-11-7-4-8-12-19)17(2)22-14-13-20(21(22)23)15-18-9-5-3-6-10-18/h3-12,16,20H,2,13-15H2,1H3
InChIKeySMWSKMKDCAZWAP-UHFFFAOYSA-N
XLogP4.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(3-chlorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741173
(3S)-3-(hydroxymethyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 118420929
ethyl (3S)-3-benzyl-2-oxoazepane-1-carboxylate
CID 91438276
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
[(3S)-3-benzyl-2-oxopyrrolidin-1-yl]methyl methanesulfonate
CID 57106984
3-[(4-methylphenyl)methyl]-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741259
3-[(2-methylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11716286
(3S)-3-[(2,6-dimethylphenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741151
3-[(2,6-dimethylphenyl)methyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 11645209
(3S)-3-[(2,6-difluorophenyl)methyl]-1-[(1S)-1-phenylethyl]pyrrolidin-2-one
CID 59741145

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one (CID 151872014) is 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one is C=C(C(C)c1ccccc1)N1CCC(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one?
The InChIKey is SMWSKMKDCAZWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-16(19-11-7-4-8-12-19)17(2)22-14-13-20(21(22)23)15-18-9-5-3-6-10-18/h3-12,16,20H,2,13-15H2,1H3.
What are the key properties of 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one?
3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one has a molecular weight of 305.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(3-phenylbut-1-en-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 151872014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).