4-(1-methylindol-3-yl)morpholine

C13H16N2O — CID 12530824

IUPAC4-(1-methylindol-3-yl)morpholine
SMILESCn1cc(N2CCOCC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-14-10-13(15-6-8-16-9-7-15)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3
InChIKeyBTKAILPOWUGEBB-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.01
Rot. Bonds1

About 4-(1-methylindol-3-yl)morpholine

4-(1-methylindol-3-yl)morpholine (PubChem CID 12530824) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)morpholine
PubChem CID12530824
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-(1-methylindol-3-yl)morpholine
SMILESCn1cc(N2CCOCC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-14-10-13(15-6-8-16-9-7-15)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3
InChIKeyBTKAILPOWUGEBB-UHFFFAOYSA-N
XLogP2.01
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)morpholine?
The IUPAC name of 4-(1-methylindol-3-yl)morpholine (CID 12530824) is 4-(1-methylindol-3-yl)morpholine.
What is the SMILES notation for 4-(1-methylindol-3-yl)morpholine?
The canonical SMILES for 4-(1-methylindol-3-yl)morpholine is Cn1cc(N2CCOCC2)c2ccccc21.
What is the InChIKey of 4-(1-methylindol-3-yl)morpholine?
The InChIKey is BTKAILPOWUGEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-10-13(15-6-8-16-9-7-15)11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-(1-methylindol-3-yl)morpholine?
4-(1-methylindol-3-yl)morpholine has a molecular weight of 216.28 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)morpholine is sourced from PubChem (CID 12530824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).