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

C17H23ClN2O2 — CID 20574342

IUPAC4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride
SMILESC=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O.Cl
InChIInChI=1S/C17H22N2O2.ClH/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;1H
InChIKeyWNVRBVSMDXAOAF-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.43
Rot. Bonds7

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

4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride (PubChem CID 20574342) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride
PubChem CID20574342
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride
SMILESC=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O.Cl
InChIInChI=1S/C17H22N2O2.ClH/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;1H
InChIKeyWNVRBVSMDXAOAF-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.43
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;hydrochloride?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride (CID 20574342) is 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride is C=CCN1CC(c2ccccc2)=C(OCCN(C)C)C1=O.Cl.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride?
The InChIKey is WNVRBVSMDXAOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2.ClH/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;1H.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride?
4-[2-(dimethylamino)ethoxy]-3-phenyl-1-prop-2-enyl-2H-pyrrol-5-one;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.43, 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;hydrochloride is sourced from PubChem (CID 20574342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).