1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one

C24H28N2O5 — CID 662081

IUPAC1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1
InChIInChI=1S/C24H28N2O5/c1-4-14-30-18-10-7-9-17(16-18)21-20(22(27)19-11-8-15-31-19)23(28)24(29)26(21)13-12-25(5-2)6-3/h4,7-11,15-16,21,28H,1,5-6,12-14H2,2-3H3
InChIKeyJAVREWLSDRMKRB-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.76
Rot. Bonds11

About 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one

1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (PubChem CID 662081) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
PubChem CID662081
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1
InChIInChI=1S/C24H28N2O5/c1-4-14-30-18-10-7-9-17(16-18)21-20(22(27)19-11-8-15-31-19)23(28)24(29)26(21)13-12-25(5-2)6-3/h4,7-11,15-16,21,28H,1,5-6,12-14H2,2-3H3
InChIKeyJAVREWLSDRMKRB-UHFFFAOYSA-N
XLogP3.76
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one (CID 662081) is 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)c1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is JAVREWLSDRMKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-4-14-30-18-10-7-9-17(16-18)21-20(22(27)19-11-8-15-31-19)23(28)24(29)26(21)13-12-25(5-2)6-3/h4,7-11,15-16,21,28H,1,5-6,12-14H2,2-3H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 424.50 g/mol, XLogP of 3.76, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(3-prop-2-enoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).