3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one

C15H19NO3 — CID 3043538

IUPAC3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCOCC1
InChIInChI=1S/C15H19NO3/c17-15-13(10-16-6-8-18-9-7-16)14(11-19-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyJOMAPGOMSKHXCK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.28
Rot. Bonds3

About 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one

3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one (PubChem CID 3043538) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one
PubChem CID3043538
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one
SMILESO=C1OCC(c2ccccc2)C1CN1CCOCC1
InChIInChI=1S/C15H19NO3/c17-15-13(10-16-6-8-18-9-7-16)14(11-19-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2
InChIKeyJOMAPGOMSKHXCK-UHFFFAOYSA-N
XLogP1.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one?
The IUPAC name of 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one (CID 3043538) is 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one is O=C1OCC(c2ccccc2)C1CN1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one?
The InChIKey is JOMAPGOMSKHXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-15-13(10-16-6-8-18-9-7-16)14(11-19-15)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one?
3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-4-phenyloxolan-2-one is sourced from PubChem (CID 3043538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).