3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one

C16H21NO3 — CID 18888342

IUPAC3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C16H21NO3/c1-5-6-17-14-11(3)7-10(2)8-13(14)16(20,15(17)19)9-12(4)18/h7-8,20H,5-6,9H2,1-4H3
InChIKeyYHQYKGVGYMZCAR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.23
Rot. Bonds4

About 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one

3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one (PubChem CID 18888342) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
PubChem CID18888342
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one
SMILESCCCN1C(=O)C(O)(CC(C)=O)c2cc(C)cc(C)c21
InChIInChI=1S/C16H21NO3/c1-5-6-17-14-11(3)7-10(2)8-13(14)16(20,15(17)19)9-12(4)18/h7-8,20H,5-6,9H2,1-4H3
InChIKeyYHQYKGVGYMZCAR-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-5,7-dimethyl-1-[3-(4-methylphenoxy)propyl]-3-(2-oxopropyl)indol-2-one
CID 41254743
(3S)-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-(3-phenoxypropyl)indol-2-one
CID 41015525
1-[2-(4-acetylphenoxy)ethyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888371
1-[(4-hexoxyphenyl)methyl]-3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888365
(3R)-1-butyl-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 41254776
3-hydroxy-7-methyl-1-nonyl-3-(2-oxopropyl)indol-2-one
CID 18888313
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
1-butyl-3-hydroxy-4,7-dimethyl-3-(2-oxopropyl)indol-2-one
CID 18888396
1'-butyl-5',7'-dimethylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 9177518
7-chloro-3-hydroxy-1-octyl-3-(2-oxopropyl)indol-2-one
CID 18888515
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-3-(2-oxopropyl)indol-2-one
CID 6499655

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one?
The IUPAC name of 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one (CID 18888342) is 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one.
What is the SMILES notation for 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one?
The canonical SMILES for 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one is CCCN1C(=O)C(O)(CC(C)=O)c2cc(C)cc(C)c21.
What is the InChIKey of 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one?
The InChIKey is YHQYKGVGYMZCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-5-6-17-14-11(3)7-10(2)8-13(14)16(20,15(17)19)9-12(4)18/h7-8,20H,5-6,9H2,1-4H3.
What are the key properties of 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one?
3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,7-dimethyl-3-(2-oxopropyl)-1-propylindol-2-one is sourced from PubChem (CID 18888342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).