4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one

C17H22N2O2 — CID 20574340

IUPAC4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O
InChIInChI=1S/C17H22N2O2/c1-4-10-19-13-15(14-8-6-5-7-9-14)16(17(19)20)21-12-11-18(2)3/h4-9H,1,10-13H2,2-3H3
InChIKeyGXSDZUKCMHTNBB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds7

About 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one

4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one (PubChem CID 20574340) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
PubChem CID20574340
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one
SMILESC=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O
InChIInChI=1S/C17H22N2O2/c1-4-10-19-13-15(14-8-6-5-7-9-14)16(17(19)20)21-12-11-18(2)3/h4-9H,1,10-13H2,2-3H3
InChIKeyGXSDZUKCMHTNBB-UHFFFAOYSA-N
XLogP2.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one (CID 20574340) is 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one is C=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
The InChIKey is GXSDZUKCMHTNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-4-10-19-13-15(14-8-6-5-7-9-14)16(17(19)20)21-12-11-18(2)3/h4-9H,1,10-13H2,2-3H3.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one?
4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one has a molecular weight of 286.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one is sourced from PubChem (CID 20574340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).