4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one

C15H19NO2 — CID 3062963

IUPAC4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCCC1
InChIInChI=1S/C15H19NO2/c17-15-13(10-16-8-4-5-9-16)14(11-18-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyUIHYRHHMFNYLIY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.04
Rot. Bonds3

About 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one

4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one (PubChem CID 3062963) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one.

Molecular Properties

Compound Name4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
PubChem CID3062963
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCCC1
InChIInChI=1S/C15H19NO2/c17-15-13(10-16-8-4-5-9-16)14(11-18-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyUIHYRHHMFNYLIY-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one?
The IUPAC name of 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one (CID 3062963) is 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one.
What is the SMILES notation for 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one?
The canonical SMILES for 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one is O=C1OCC(c2ccccc2)C1CN1CCCC1.
What is the InChIKey of 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one?
The InChIKey is UIHYRHHMFNYLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15-13(10-16-8-4-5-9-16)14(11-18-15)12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one?
4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one has a molecular weight of 245.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(pyrrolidin-1-ylmethyl)oxolan-2-one is sourced from PubChem (CID 3062963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).