1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one

C16H22N2O3S — CID 108624096

IUPAC1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCCN(C)C)C1c1cccs1
InChIInChI=1S/C16H22N2O3S/c1-4-11(19)13-14(12-7-5-10-22-12)18(16(21)15(13)20)9-6-8-17(2)3/h5,7,10,14,20H,4,6,8-9H2,1-3H3
InChIKeyHVFBSAOWPNDVRJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.37
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one

1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 108624096) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID108624096
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESCCC(=O)C1=C(O)C(=O)N(CCCN(C)C)C1c1cccs1
InChIInChI=1S/C16H22N2O3S/c1-4-11(19)13-14(12-7-5-10-22-12)18(16(21)15(13)20)9-6-8-17(2)3/h5,7,10,14,20H,4,6,8-9H2,1-3H3
InChIKeyHVFBSAOWPNDVRJ-UHFFFAOYSA-N
XLogP2.37
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylamino)propyl]-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624094
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-butyl-3-(2,2-dimethylpropanoyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624229
1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2910512
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-thiophen-2-yl-2H-pyrrol-5-one
CID 18829087
1-[2-(diethylamino)ethyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2926311
4-hydroxy-3-(3-methylbutanoyl)-1-(3-propan-2-yloxypropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624554
(2R)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6997999
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(2-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108652043
1-[3-(dimethylamino)propyl]-4-hydroxy-2-[3-(2-methylpropoxy)phenyl]-3-propanoyl-2H-pyrrol-5-one
CID 108694219

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one (CID 108624096) is 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one is CCC(=O)C1=C(O)C(=O)N(CCCN(C)C)C1c1cccs1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is HVFBSAOWPNDVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-4-11(19)13-14(12-7-5-10-22-12)18(16(21)15(13)20)9-6-8-17(2)3/h5,7,10,14,20H,4,6,8-9H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 322.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-hydroxy-3-propanoyl-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108624096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).