(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone

C15H18N2O3 — CID 167983389

IUPAC(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-7-20-8-10(2)17(9)15(19)14-5-11-3-4-12(18)6-13(11)16-14/h3-6,9-10,16,18H,7-8H2,1-2H3
InChIKeyWZTIFSVXSACSSN-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.12
Rot. Bonds1

About (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone

(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone (PubChem CID 167983389) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone
PubChem CID167983389
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1cc2ccc(O)cc2[nH]1
InChIInChI=1S/C15H18N2O3/c1-9-7-20-8-10(2)17(9)15(19)14-5-11-3-4-12(18)6-13(11)16-14/h3-6,9-10,16,18H,7-8H2,1-2H3
InChIKeyWZTIFSVXSACSSN-UHFFFAOYSA-N
XLogP2.12
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone (CID 167983389) is (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone is CC1COCC(C)N1C(=O)c1cc2ccc(O)cc2[nH]1.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone?
The InChIKey is WZTIFSVXSACSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9-7-20-8-10(2)17(9)15(19)14-5-11-3-4-12(18)6-13(11)16-14/h3-6,9-10,16,18H,7-8H2,1-2H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone?
(3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone has a molecular weight of 274.32 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-(6-hydroxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 167983389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).