6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione

C15H18N2O4 — CID 114777203

IUPAC6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
SMILESCC1(C)CN(c2ccc3c(c2)NC(=O)C3=O)CC(CO)O1
InChIInChI=1S/C15H18N2O4/c1-15(2)8-17(6-10(7-18)21-15)9-3-4-11-12(5-9)16-14(20)13(11)19/h3-5,10,18H,6-8H2,1-2H3,(H,16,19,20)
InChIKeyWIYRBNQXIRZQIM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.80
Rot. Bonds2

About 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione

6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione (PubChem CID 114777203) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
PubChem CID114777203
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione
SMILESCC1(C)CN(c2ccc3c(c2)NC(=O)C3=O)CC(CO)O1
InChIInChI=1S/C15H18N2O4/c1-15(2)8-17(6-10(7-18)21-15)9-3-4-11-12(5-9)16-14(20)13(11)19/h3-5,10,18H,6-8H2,1-2H3,(H,16,19,20)
InChIKeyWIYRBNQXIRZQIM-UHFFFAOYSA-N
XLogP0.80
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione with MolForge

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Related Compounds

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
CID 114777220
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
[6,6-dimethyl-4-(6-nitro-3-pyridinyl)morpholin-2-yl]methanol
CID 114779409
2-ethyl-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136989146
[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-3-carbaldehyde
CID 114777262
[6,6-dimethyl-4-(3-methylsulfonyl-2-pyridinyl)morpholin-2-yl]methanol
CID 114779341
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221

Frequently Asked Questions

What is the IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The IUPAC name of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione (CID 114777203) is 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione.
What is the SMILES notation for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The canonical SMILES for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione is CC1(C)CN(c2ccc3c(c2)NC(=O)C3=O)CC(CO)O1.
What is the InChIKey of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
The InChIKey is WIYRBNQXIRZQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2)8-17(6-10(7-18)21-15)9-3-4-11-12(5-9)16-14(20)13(11)19/h3-5,10,18H,6-8H2,1-2H3,(H,16,19,20).
What are the key properties of 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione?
6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione has a molecular weight of 290.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-1H-indole-2,3-dione is sourced from PubChem (CID 114777203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).