4-butyl-2-phenylmorpholin-3-one

C14H19NO2 — CID 3056627

IUPAC4-butyl-2-phenylmorpholin-3-one
SMILESCCCCN1CCOC(c2ccccc2)C1=O
InChIInChI=1S/C14H19NO2/c1-2-3-9-15-10-11-17-13(14(15)16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyUSRSZUNVXVRVKB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.39
Rot. Bonds4

About 4-butyl-2-phenylmorpholin-3-one

4-butyl-2-phenylmorpholin-3-one (PubChem CID 3056627) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-butyl-2-phenylmorpholin-3-one.

Molecular Properties

Compound Name4-butyl-2-phenylmorpholin-3-one
PubChem CID3056627
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name4-butyl-2-phenylmorpholin-3-one
SMILESCCCCN1CCOC(c2ccccc2)C1=O
InChIInChI=1S/C14H19NO2/c1-2-3-9-15-10-11-17-13(14(15)16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3
InChIKeyUSRSZUNVXVRVKB-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-phenylmorpholin-3-one?
The IUPAC name of 4-butyl-2-phenylmorpholin-3-one (CID 3056627) is 4-butyl-2-phenylmorpholin-3-one.
What is the SMILES notation for 4-butyl-2-phenylmorpholin-3-one?
The canonical SMILES for 4-butyl-2-phenylmorpholin-3-one is CCCCN1CCOC(c2ccccc2)C1=O.
What is the InChIKey of 4-butyl-2-phenylmorpholin-3-one?
The InChIKey is USRSZUNVXVRVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-9-15-10-11-17-13(14(15)16)12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3.
What are the key properties of 4-butyl-2-phenylmorpholin-3-one?
4-butyl-2-phenylmorpholin-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-phenylmorpholin-3-one is sourced from PubChem (CID 3056627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).