1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one

C19H22N2O3 — CID 108646525

IUPAC1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)CC)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-3-5-10-21-17(16(15(22)4-2)18(23)19(21)24)13-11-20-14-9-7-6-8-12(13)14/h6-9,11,17,20,23H,3-5,10H2,1-2H3
InChIKeyCDWZZCABSCALIL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds6

About 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one

1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one (PubChem CID 108646525) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
PubChem CID108646525
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
SMILESCCCCN1C(=O)C(O)=C(C(=O)CC)C1c1c[nH]c2ccccc12
InChIInChI=1S/C19H22N2O3/c1-3-5-10-21-17(16(15(22)4-2)18(23)19(21)24)13-11-20-14-9-7-6-8-12(13)14/h6-9,11,17,20,23H,3-5,10H2,1-2H3
InChIKeyCDWZZCABSCALIL-UHFFFAOYSA-N
XLogP3.64
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108604565
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108604568
1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 108646441
4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-1-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 108681051
4-hydroxy-2-(1H-indol-3-yl)-3-(3-methylbutanoyl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603437
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108695685
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108604510
3-(furan-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108646355
4-hydroxy-2-(2-methylphenyl)-3-propanoyl-1-propyl-2H-pyrrol-5-one
CID 108652217
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603432
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one
CID 108646633
(4E)-1-butyl-4-[hydroxy(naphthalen-2-yl)methylidene]-5-(1H-indol-3-yl)pyrrolidine-2,3-dione
CID 108646532

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The IUPAC name of 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one (CID 108646525) is 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The canonical SMILES for 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one is CCCCN1C(=O)C(O)=C(C(=O)CC)C1c1c[nH]c2ccccc12.
What is the InChIKey of 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
The InChIKey is CDWZZCABSCALIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-5-10-21-17(16(15(22)4-2)18(23)19(21)24)13-11-20-14-9-7-6-8-12(13)14/h6-9,11,17,20,23H,3-5,10H2,1-2H3.
What are the key properties of 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one?
1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one has a molecular weight of 326.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-(1H-indol-3-yl)-3-propanoyl-2H-pyrrol-5-one is sourced from PubChem (CID 108646525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).