3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

C23H18N2O4 — CID 4871056

IUPAC3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C=Cc1ccco1)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1
InChIInChI=1S/C23H18N2O4/c26-19(11-10-18-9-5-13-29-18)20-21(17-7-2-1-3-8-17)25(23(28)22(20)27)15-16-6-4-12-24-14-16/h1-14,21,27H,15H2
InChIKeyDQTWEAXQRWSLAK-UHFFFAOYSA-N
MW386.41 g/mol
LogP3.85
Rot. Bonds6

About 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one

3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (PubChem CID 4871056) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
PubChem CID4871056
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
SMILESO=C(C=Cc1ccco1)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1
InChIInChI=1S/C23H18N2O4/c26-19(11-10-18-9-5-13-29-18)20-21(17-7-2-1-3-8-17)25(23(28)22(20)27)15-16-6-4-12-24-14-16/h1-14,21,27H,15H2
InChIKeyDQTWEAXQRWSLAK-UHFFFAOYSA-N
XLogP3.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.85
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

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
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-(3-methoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6226186
4-hydroxy-2-(4-hydroxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6190109
3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 6225710
methyl 4-[4-hydroxy-5-oxo-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-2-yl]benzoate
CID 6190131
(2R)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(4-propoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 27305443
(2R)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 986549
4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 6190119
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)-2H-pyrrol-5-one
CID 110276602
4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 6190116

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one (CID 4871056) is 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is O=C(C=Cc1ccco1)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1.
What is the InChIKey of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is DQTWEAXQRWSLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-19(11-10-18-9-5-13-29-18)20-21(17-7-2-1-3-8-17)25(23(28)22(20)27)15-16-6-4-12-24-14-16/h1-14,21,27H,15H2.
What are the key properties of 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one?
3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 386.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4871056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).