1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

C17H18N2O4S — CID 2910512

IUPAC1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccs1
InChIInChI=1S/C17H18N2O4S/c1-18(2)7-8-19-14(12-6-4-10-24-12)13(16(21)17(19)22)15(20)11-5-3-9-23-11/h3-6,9-10,14,21H,7-8H2,1-2H3
InChIKeyRSMBIEQXAZDGKY-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.48
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 2910512) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID2910512
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccs1
InChIInChI=1S/C17H18N2O4S/c1-18(2)7-8-19-14(12-6-4-10-24-12)13(16(21)17(19)22)15(20)11-5-3-9-23-11/h3-6,9-10,14,21H,7-8H2,1-2H3
InChIKeyRSMBIEQXAZDGKY-UHFFFAOYSA-N
XLogP2.48
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(dimethylamino)propyl]-3-[(E)-3-(furan-2-yl)prop-2-enoyl]-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 6225405
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 3487292
1-[4-(dimethylamino)phenyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108587034
(2S)-1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 7366501
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108586001
1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624096
1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2910001
1-[3-(dimethylamino)propyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624094
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2926311
(2R)-1-[3-(dimethylamino)propyl]-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 1155449
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
CID 108652917
3-(furan-2-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-2-(3-methylthiophen-2-yl)-2H-pyrrol-5-one
CID 108661487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one (CID 2910512) is 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccs1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is RSMBIEQXAZDGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-18(2)7-8-19-14(12-6-4-10-24-12)13(16(21)17(19)22)15(20)11-5-3-9-23-11/h3-6,9-10,14,21H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one?
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 346.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 2910512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).