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

C25H30N2O5 — CID 662148

IUPAC1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C25H30N2O5/c1-4-16-31-19-12-10-18(11-13-19)22-21(23(28)20-9-7-17-32-20)24(29)25(30)27(22)15-8-14-26(5-2)6-3/h4,7,9-13,17,22,29H,1,5-6,8,14-16H2,2-3H3
InChIKeyPAYLZSPKYZBHQL-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.15
Rot. Bonds12

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

1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one (PubChem CID 662148) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
PubChem CID662148
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one
SMILESC=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(CC)CC)cc1
InChIInChI=1S/C25H30N2O5/c1-4-16-31-19-12-10-18(11-13-19)22-21(23(28)20-9-7-17-32-20)24(29)25(30)27(22)15-8-14-26(5-2)6-3/h4,7,9-13,17,22,29H,1,5-6,8,14-16H2,2-3H3
InChIKeyPAYLZSPKYZBHQL-UHFFFAOYSA-N
XLogP4.15
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.15
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-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one (CID 662148) is 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one is C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(CC)CC)cc1.
What is the InChIKey of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is PAYLZSPKYZBHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-4-16-31-19-12-10-18(11-13-19)22-21(23(28)20-9-7-17-32-20)24(29)25(30)27(22)15-8-14-26(5-2)6-3/h4,7,9-13,17,22,29H,1,5-6,8,14-16H2,2-3H3.
What are the key properties of 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one?
1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 438.52 g/mol, XLogP of 4.15, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 662148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).