6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one

C14H17N3O2 — CID 116838162

IUPAC6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one
SMILESCc1[nH]c2ccccc2c1N1CC(CN)OCC1=O
InChIInChI=1S/C14H17N3O2/c1-9-14(11-4-2-3-5-12(11)16-9)17-7-10(6-15)19-8-13(17)18/h2-5,10,16H,6-8,15H2,1H3
InChIKeyGSSAFIFOSFISNI-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.17
Rot. Bonds2

About 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one

6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one (PubChem CID 116838162) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one.

Molecular Properties

Compound Name6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one
PubChem CID116838162
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one
SMILESCc1[nH]c2ccccc2c1N1CC(CN)OCC1=O
InChIInChI=1S/C14H17N3O2/c1-9-14(11-4-2-3-5-12(11)16-9)17-7-10(6-15)19-8-13(17)18/h2-5,10,16H,6-8,15H2,1H3
InChIKeyGSSAFIFOSFISNI-UHFFFAOYSA-N
XLogP1.17
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-4-(2,3,5,6-tetramethylphenyl)morpholin-3-one
CID 116838153
6-(aminomethyl)-4-[2-(trifluoromethyl)phenyl]morpholin-3-one
CID 115060288
6-(aminomethyl)-4-naphthalen-2-ylmorpholin-3-one
CID 116838193
methyl 4-[2-(aminomethyl)-5-oxomorpholin-4-yl]benzoate
CID 117008948
6-(aminomethyl)-4-benzylmorpholin-3-one;hydrochloride
CID 146050632
(6R)-6-(aminomethyl)-4-(pyridin-2-ylmethyl)morpholin-3-one
CID 42078812
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858
2-[3-(2-methyl-1H-indol-3-yl)pyrrolidin-1-yl]ethanamine
CID 82622295
6-(aminomethyl)-4-(1-methylpiperidin-4-yl)morpholin-3-one
CID 115102895
4-(2,6-dimethylphenyl)-5-(2-methyl-1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 149323151
6-(3-aminopropyl)-4-(4-fluorophenyl)morpholin-3-one
CID 115060310
6-(2-hydroxyethyl)-4-(2-hydroxyphenyl)morpholin-3-one
CID 115067675

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one?
The IUPAC name of 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one (CID 116838162) is 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one.
What is the SMILES notation for 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one?
The canonical SMILES for 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one is Cc1[nH]c2ccccc2c1N1CC(CN)OCC1=O.
What is the InChIKey of 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one?
The InChIKey is GSSAFIFOSFISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-14(11-4-2-3-5-12(11)16-9)17-7-10(6-15)19-8-13(17)18/h2-5,10,16H,6-8,15H2,1H3.
What are the key properties of 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one?
6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one has a molecular weight of 259.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4-(2-methyl-1H-indol-3-yl)morpholin-3-one is sourced from PubChem (CID 116838162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).