(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

C19H21NO4 — CID 7280994

IUPAC(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-4-9-20-15-8-6-5-7-14(15)19(23,18(20)22)10-16(21)17-12(2)11-24-13(17)3/h5-8,11,23H,4,9-10H2,1-3H3/t19-/m0/s1
InChIKeyALCXWFHAPNFUSB-IBGZPJMESA-N
MW327.38 g/mol
LogP3.11
Rot. Bonds5

About (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one

(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (PubChem CID 7280994) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.

Molecular Properties

Compound Name(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
PubChem CID7280994
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
SMILESCCCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2ccccc21
InChIInChI=1S/C19H21NO4/c1-4-9-20-15-8-6-5-7-14(15)19(23,18(20)22)10-16(21)17-12(2)11-24-13(17)3/h5-8,11,23H,4,9-10H2,1-3H3/t19-/m0/s1
InChIKeyALCXWFHAPNFUSB-IBGZPJMESA-N
XLogP3.11
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 1295142
(3R)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propan-2-ylindol-2-one
CID 7281024
1-benzyl-5-bromo-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 4586156
(3R)-3-hydroxy-3-(2-oxo-3-phenylpropyl)-1-propylindol-2-one
CID 7280995
3-hydroxy-3-(2-oxo-4-phenylbut-3-enyl)-1-propylindol-2-one
CID 4209086
3-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 2977337
(3R)-5-chloro-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-[(4-methylphenyl)methyl]indol-2-one
CID 1259352
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1-benzyl-3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 2957228
(3R)-3-hydroxy-1-methyl-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]indol-2-one
CID 957814
(3S)-5-bromo-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-(thiophen-2-ylmethyl)indol-2-one
CID 41063483
3-hydroxy-3-[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl]-1-prop-2-enylindol-2-one
CID 2957508

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The IUPAC name of (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one (CID 7280994) is (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one.
What is the SMILES notation for (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The canonical SMILES for (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is CCCN1C(=O)[C@](O)(CC(=O)c2c(C)coc2C)c2ccccc21.
What is the InChIKey of (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
The InChIKey is ALCXWFHAPNFUSB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-9-20-15-8-6-5-7-14(15)19(23,18(20)22)10-16(21)17-12(2)11-24-13(17)3/h5-8,11,23H,4,9-10H2,1-3H3/t19-/m0/s1.
What are the key properties of (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one?
(3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one is sourced from PubChem (CID 7280994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).