3-(1H-indol-3-ylmethyl)morpholine

C13H16N2O — CID 44607758

IUPAC3-(1H-indol-3-ylmethyl)morpholine
SMILESc1ccc2c(CC3COCCN3)c[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-2-4-13-12(3-1)10(8-15-13)7-11-9-16-6-5-14-11/h1-4,8,11,14-15H,5-7,9H2
InChIKeyOBEIPTLFNWMGFT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.70
Rot. Bonds2

About 3-(1H-indol-3-ylmethyl)morpholine

3-(1H-indol-3-ylmethyl)morpholine (PubChem CID 44607758) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)morpholine.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)morpholine
PubChem CID44607758
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(1H-indol-3-ylmethyl)morpholine
SMILESc1ccc2c(CC3COCCN3)c[nH]c2c1
InChIInChI=1S/C13H16N2O/c1-2-4-13-12(3-1)10(8-15-13)7-11-9-16-6-5-14-11/h1-4,8,11,14-15H,5-7,9H2
InChIKeyOBEIPTLFNWMGFT-UHFFFAOYSA-N
XLogP1.70
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)morpholine?
The IUPAC name of 3-(1H-indol-3-ylmethyl)morpholine (CID 44607758) is 3-(1H-indol-3-ylmethyl)morpholine.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)morpholine?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)morpholine is c1ccc2c(CC3COCCN3)c[nH]c2c1.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)morpholine?
The InChIKey is OBEIPTLFNWMGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-4-13-12(3-1)10(8-15-13)7-11-9-16-6-5-14-11/h1-4,8,11,14-15H,5-7,9H2.
What are the key properties of 3-(1H-indol-3-ylmethyl)morpholine?
3-(1H-indol-3-ylmethyl)morpholine has a molecular weight of 216.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)morpholine is sourced from PubChem (CID 44607758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).