1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

C19H21NO4S — CID 108662351

IUPAC1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1Cc1ccco1
InChIInChI=1S/C19H21NO4S/c1-11(2)9-14(21)15-16(18-12(3)6-8-25-18)20(19(23)17(15)22)10-13-5-4-7-24-13/h4-8,11,16,22H,9-10H2,1-3H3
InChIKeyXIPWTCGIGFRADY-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.16
Rot. Bonds6

About 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one

1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (PubChem CID 108662351) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
PubChem CID108662351
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Name1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
SMILESCc1ccsc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1Cc1ccco1
InChIInChI=1S/C19H21NO4S/c1-11(2)9-14(21)15-16(18-12(3)6-8-25-18)20(19(23)17(15)22)10-13-5-4-7-24-13/h4-8,11,16,22H,9-10H2,1-3H3
InChIKeyXIPWTCGIGFRADY-UHFFFAOYSA-N
XLogP4.16
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108663041
2-[4-(diethylamino)phenyl]-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860016
2-(3,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43860027
1-[2-(4-chlorophenyl)ethyl]-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108696622
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108661394
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108662437
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylthiophen-2-yl)-1-(3-propan-2-yloxypropyl)-2H-pyrrol-5-one
CID 108610911
1-(furan-2-ylmethyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108659912
2-(furan-2-yl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108656024
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108661487
2-(furan-2-yl)-4-hydroxy-1-(3-hydroxypropyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 43859945
3-acetyl-1-(furan-2-ylmethyl)-4-hydroxy-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 565942

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The IUPAC name of 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one (CID 108662351) is 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is Cc1ccsc1C1C(C(=O)CC(C)C)=C(O)C(=O)N1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
The InChIKey is XIPWTCGIGFRADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-11(2)9-14(21)15-16(18-12(3)6-8-25-18)20(19(23)17(15)22)10-13-5-4-7-24-13/h4-8,11,16,22H,9-10H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one?
1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one has a molecular weight of 359.45 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one is sourced from PubChem (CID 108662351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).