1-(3-phenylmorpholin-4-yl)prop-2-en-1-one

C13H15NO2 — CID 582985

IUPAC1-(3-phenylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(15)14-8-9-16-10-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyGXHUQPBTIURUFU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.77
Rot. Bonds2

About 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one

1-(3-phenylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 582985) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3-phenylmorpholin-4-yl)prop-2-en-1-one
PubChem CID582985
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-(3-phenylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCOCC1c1ccccc1
InChIInChI=1S/C13H15NO2/c1-2-13(15)14-8-9-16-10-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyGXHUQPBTIURUFU-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one (CID 582985) is 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one is C=CC(=O)N1CCOCC1c1ccccc1.
What is the InChIKey of 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is GXHUQPBTIURUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-13(15)14-8-9-16-10-12(14)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2.
What are the key properties of 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one?
1-(3-phenylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 582985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).