3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one

C16H20N2O2 — CID 53014636

IUPAC3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1ccc2ccc(CCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H20N2O2/c1-17-7-6-14-4-2-13(12-15(14)17)3-5-16(19)18-8-10-20-11-9-18/h2,4,6-7,12H,3,5,8-11H2,1H3
InChIKeyNLNUWMKNCOGCFR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.97
Rot. Bonds3

About 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one

3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 53014636) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID53014636
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one
SMILESCn1ccc2ccc(CCC(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H20N2O2/c1-17-7-6-14-4-2-13(12-15(14)17)3-5-16(19)18-8-10-20-11-9-18/h2,4,6-7,12H,3,5,8-11H2,1H3
InChIKeyNLNUWMKNCOGCFR-UHFFFAOYSA-N
XLogP1.97
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one (CID 53014636) is 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one is Cn1ccc2ccc(CCC(=O)N3CCOCC3)cc21.
What is the InChIKey of 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is NLNUWMKNCOGCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-17-7-6-14-4-2-13(12-15(14)17)3-5-16(19)18-8-10-20-11-9-18/h2,4,6-7,12H,3,5,8-11H2,1H3.
What are the key properties of 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one?
3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-6-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 53014636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).