3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one

C21H23NO5 — CID 108652998

IUPAC3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1ccco1
InChIInChI=1S/C21H23NO5/c1-21(2,3)19(24)16-17(15-10-7-11-27-15)22(20(25)18(16)23)12-13-8-5-6-9-14(13)26-4/h5-11,17,23H,12H2,1-4H3
InChIKeyLPMPDPDOANUKEX-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.80
Rot. Bonds5

About 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one

3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one (PubChem CID 108652998) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
PubChem CID108652998
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one
SMILESCOc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1ccco1
InChIInChI=1S/C21H23NO5/c1-21(2,3)19(24)16-17(15-10-7-11-27-15)22(20(25)18(16)23)12-13-8-5-6-9-14(13)26-4/h5-11,17,23H,12H2,1-4H3
InChIKeyLPMPDPDOANUKEX-UHFFFAOYSA-N
XLogP3.80
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-dimethylpropanoyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108612408
2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108656024
2-(4-tert-butylphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-propanoyl-2H-pyrrol-5-one
CID 108717344
3-(2,2-dimethylpropanoyl)-2-(2-fluorophenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108645244
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108614622
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700710
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 108657236
1-butyl-2-(2,3-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-4-hydroxy-2H-pyrrol-5-one
CID 108615317
3-(2,2-dimethylpropanoyl)-2-(4-ethylphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649378
3-(2,2-dimethylpropanoyl)-1-(4-ethoxyphenyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654383
1-(3,5-dimethylphenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108653687
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654730

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one (CID 108652998) is 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one is COc1ccccc1CN1C(=O)C(O)=C(C(=O)C(C)(C)C)C1c1ccco1.
What is the InChIKey of 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
The InChIKey is LPMPDPDOANUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-21(2,3)19(24)16-17(15-10-7-11-27-15)22(20(25)18(16)23)12-13-8-5-6-9-14(13)26-4/h5-11,17,23H,12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one?
3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one has a molecular weight of 369.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108652998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).