5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one

C15H19NO3 — CID 91061453

IUPAC5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1NC(Cc2ccccc2)CC1CC1COCO1
InChIInChI=1S/C15H19NO3/c17-15-12(8-14-9-18-10-19-14)7-13(16-15)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyIJXPZFSXVXKLCK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.50
Rot. Bonds4

About 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one

5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one (PubChem CID 91061453) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one
PubChem CID91061453
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one
SMILESO=C1NC(Cc2ccccc2)CC1CC1COCO1
InChIInChI=1S/C15H19NO3/c17-15-12(8-14-9-18-10-19-14)7-13(16-15)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17)
InChIKeyIJXPZFSXVXKLCK-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one (CID 91061453) is 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one is O=C1NC(Cc2ccccc2)CC1CC1COCO1.
What is the InChIKey of 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is IJXPZFSXVXKLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15-12(8-14-9-18-10-19-14)7-13(16-15)6-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H,16,17).
What are the key properties of 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one?
5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(1,3-dioxolan-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 91061453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).