3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one

C21H23N2O4+ — CID 5053139

IUPAC3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(16-6-2-1-3-7-16)14-21(26)17-8-4-5-9-18(17)23(20(21)25)15-22-10-12-27-13-11-22/h1-9,26H,10-15H2/p+1
InChIKeyIDTNGXPTRSXKBA-UHFFFAOYSA-O
MW367.43 g/mol
LogP0.37
Rot. Bonds5

About 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one

3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one (PubChem CID 5053139) has the molecular formula C21H23N2O4+ and a molecular weight of 367.43 g/mol. Its IUPAC name is 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
PubChem CID5053139
Molecular FormulaC21H23N2O4+
Molecular Weight367.43 g/mol
Exact Mass367.17
IUPAC Name3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one
SMILESO=C(CC1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccccc1
InChIInChI=1S/C21H22N2O4/c24-19(16-6-2-1-3-7-16)14-21(26)17-8-4-5-9-18(17)23(20(21)25)15-22-10-12-27-13-11-22/h1-9,26H,10-15H2/p+1
InChIKeyIDTNGXPTRSXKBA-UHFFFAOYSA-O
XLogP0.37
TPSA71.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-tert-butylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 5212720
(3S)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288175
(3R)-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7288185
(3R)-3-[2-(2,5-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)indol-2-one
CID 7334070
(3R)-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 6985575
(3S)-3-[2-(4-ethylphenyl)-2-oxoethyl]-1-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-3-hydroxyindol-2-one
CID 7583733
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3S)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 7680395
(3R)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one
CID 9350088
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)-3-hydroxy-3-phenacylindol-2-one
CID 17138914
(3R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1-(morpholin-4-ylmethyl)indol-2-one
CID 1419494
(3R)-3-hydroxy-1-(morpholin-4-ylmethyl)-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]indol-2-one
CID 7046085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one?
The IUPAC name of 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one (CID 5053139) is 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one.
What is the SMILES notation for 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one?
The canonical SMILES for 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one is O=C(CC1(O)C(=O)N(C[NH+]2CCOCC2)c2ccccc21)c1ccccc1.
What is the InChIKey of 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one?
The InChIKey is IDTNGXPTRSXKBA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N2O4/c24-19(16-6-2-1-3-7-16)14-21(26)17-8-4-5-9-18(17)23(20(21)25)15-22-10-12-27-13-11-22/h1-9,26H,10-15H2/p+1.
What are the key properties of 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one?
3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one has a molecular weight of 367.43 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-(morpholin-4-ium-4-ylmethyl)-3-phenacylindol-2-one is sourced from PubChem (CID 5053139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).