1-morpholin-4-yl-3-phenylprop-2-yn-1-one

C13H13NO2 — CID 3841931

IUPAC1-morpholin-4-yl-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-5H,8-11H2
InChIKeyPJBKSHRZVPHCIU-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.90
Rot. Bonds

About 1-morpholin-4-yl-3-phenylprop-2-yn-1-one

1-morpholin-4-yl-3-phenylprop-2-yn-1-one (PubChem CID 3841931) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylprop-2-yn-1-one
PubChem CID3841931
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-morpholin-4-yl-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H13NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-5H,8-11H2
InChIKeyPJBKSHRZVPHCIU-UHFFFAOYSA-N
XLogP0.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-morpholin-4-yl-3-phenylprop-2-yn-1-one (CID 3841931) is 1-morpholin-4-yl-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-phenylprop-2-yn-1-one is O=C(C#Cc1ccccc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylprop-2-yn-1-one?
The InChIKey is PJBKSHRZVPHCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(14-8-10-16-11-9-14)7-6-12-4-2-1-3-5-12/h1-5H,8-11H2.
What are the key properties of 1-morpholin-4-yl-3-phenylprop-2-yn-1-one?
1-morpholin-4-yl-3-phenylprop-2-yn-1-one has a molecular weight of 215.25 g/mol, XLogP of 0.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 3841931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).