1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

C17H23NO3 — CID 20641776

IUPAC1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CCN(Cc3ccccc3)C2=O)OCCO1
InChIInChI=1S/C17H23NO3/c1-17(20-11-12-21-17)9-7-15-8-10-18(16(15)19)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyORCJWGUFFGGRRH-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.58
Rot. Bonds5

About 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one

1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (PubChem CID 20641776) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
PubChem CID20641776
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
SMILESCC1(CCC2CCN(Cc3ccccc3)C2=O)OCCO1
InChIInChI=1S/C17H23NO3/c1-17(20-11-12-21-17)9-7-15-8-10-18(16(15)19)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3
InChIKeyORCJWGUFFGGRRH-UHFFFAOYSA-N
XLogP2.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 59951644
1-benzyl-3-(2-oxopropyl)pyrrolidin-2-one
CID 59305555
1-benzyl-3-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 59741196
(3R)-3-amino-1-benzylpyrrolidin-2-one
CID 11128028
3-amino-1-benzylpyrrolidin-2-one
CID 47002372
1-benzyl-3-ethylpiperidin-2-one
CID 13440525
1-benzyl-3-[(E)-7-chloro-6-methylhept-5-enyl]piperidin-2-one
CID 15127275
3-benzyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 59741125
(3S)-3-[2-(3-benzylimidazol-4-yl)ethyl]-1-[(3-methylphenyl)methyl]pyrrolidin-2-one
CID 58120227
3-benzyl-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-one
CID 18464420
(3S)-3-methyl-1-[(3-phenylphenyl)methyl]pyrrolidin-2-one
CID 97284261
1-benzyl-3-(3-hydroxypentan-3-yl)pyrrolidin-2-one
CID 166943014

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one (CID 20641776) is 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is CC1(CCC2CCN(Cc3ccccc3)C2=O)OCCO1.
What is the InChIKey of 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
The InChIKey is ORCJWGUFFGGRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-17(20-11-12-21-17)9-7-15-8-10-18(16(15)19)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3.
What are the key properties of 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one?
1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one has a molecular weight of 289.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 20641776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).