4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one

C23H24N2O4 — CID 108634217

IUPAC4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccncc1
InChIInChI=1S/C23H24N2O4/c26-19(9-8-16-5-2-1-3-6-16)20-21(17-10-12-24-13-11-17)25(23(28)22(20)27)15-18-7-4-14-29-18/h1-3,5-6,10-13,18,21,27H,4,7-9,14-15H2
InChIKeyCRFAMSKOBWEXRH-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.16
Rot. Bonds7

About 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one

4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one (PubChem CID 108634217) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
PubChem CID108634217
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccncc1
InChIInChI=1S/C23H24N2O4/c26-19(9-8-16-5-2-1-3-6-16)20-21(17-10-12-24-13-11-17)25(23(28)22(20)27)15-18-7-4-14-29-18/h1-3,5-6,10-13,18,21,27H,4,7-9,14-15H2
InChIKeyCRFAMSKOBWEXRH-UHFFFAOYSA-N
XLogP3.16
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108630725
4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634202
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634205
(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2S)-oxolan-2-yl]methyl]-2-phenyl-2H-pyrrol-5-one
CID 1080394
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177
2-(4-ethylphenyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-3-propanoyl-2H-pyrrol-5-one
CID 108649303
4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 108612339
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847486
(2R)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 847442
4-hydroxy-3-(3-methylbutanoyl)-1-(oxolan-2-ylmethyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108627161
2-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 3152545
(2S)-2-(4-ethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1080434

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one (CID 108634217) is 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(CC2CCCO2)C1c1ccncc1.
What is the InChIKey of 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
The InChIKey is CRFAMSKOBWEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c26-19(9-8-16-5-2-1-3-6-16)20-21(17-10-12-24-13-11-17)25(23(28)22(20)27)15-18-7-4-14-29-18/h1-3,5-6,10-13,18,21,27H,4,7-9,14-15H2.
What are the key properties of 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one?
4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one has a molecular weight of 392.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(oxolan-2-ylmethyl)-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).