1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C22H23NO5 — CID 110276573

IUPAC1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H23NO5/c1-4-23-20(15-7-9-17(10-8-15)28-14(2)3)19(21(25)22(23)26)18(24)12-11-16-6-5-13-27-16/h5-14,20,25H,4H2,1-3H3/b12-11+
InChIKeyYBAMNJDLMQMILM-VAWYXSNFSA-N
MW381.43 g/mol
LogP4.06
Rot. Bonds7

About 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one

1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 110276573) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
PubChem CID110276573
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
SMILESCCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(OC(C)C)cc1
InChIInChI=1S/C22H23NO5/c1-4-23-20(15-7-9-17(10-8-15)28-14(2)3)19(21(25)22(23)26)18(24)12-11-16-6-5-13-27-16/h5-14,20,25H,4H2,1-3H3/b12-11+
InChIKeyYBAMNJDLMQMILM-VAWYXSNFSA-N
XLogP4.06
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 4899009
(2R)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 28746926
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-methoxyphenyl)-1-(2-piperidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276647
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276597
methyl 4-[1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-5-oxo-2H-pyrrol-2-yl]benzoate
CID 4895275
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 4870375
1-butyl-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108621310
2-(4-fluorophenyl)-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
CID 110276513
1-[2-(diethylamino)ethyl]-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18829292
2-(3,4-dimethoxyphenyl)-1-[2-(dimethylamino)ethyl]-3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2H-pyrrol-5-one
CID 4912506
1-[3-(diethylamino)propyl]-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-nitrophenyl)-2H-pyrrol-5-one
CID 18829222
(2S)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 7366501

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 110276573) is 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is CCN1C(=O)C(O)=C(C(=O)/C=C/c2ccco2)C1c1ccc(OC(C)C)cc1.
What is the InChIKey of 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
The InChIKey is YBAMNJDLMQMILM-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23NO5/c1-4-23-20(15-7-9-17(10-8-15)28-14(2)3)19(21(25)22(23)26)18(24)12-11-16-6-5-13-27-16/h5-14,20,25H,4H2,1-3H3/b12-11+.
What are the key properties of 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one?
1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 381.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 110276573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).