4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine

C15H22N2O — CID 113277983

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine
SMILESCCC1COCCN1Cc1cccc2c1NCC2
InChIInChI=1S/C15H22N2O/c1-2-14-11-18-9-8-17(14)10-13-5-3-4-12-6-7-16-15(12)13/h3-5,14,16H,2,6-11H2,1H3
InChIKeyDIDINUOPRVSWEK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.27
Rot. Bonds3

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine

4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine (PubChem CID 113277983) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine
PubChem CID113277983
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine
SMILESCCC1COCCN1Cc1cccc2c1NCC2
InChIInChI=1S/C15H22N2O/c1-2-14-11-18-9-8-17(14)10-13-5-3-4-12-6-7-16-15(12)13/h3-5,14,16H,2,6-11H2,1H3
InChIKeyDIDINUOPRVSWEK-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine (CID 113277983) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine is CCC1COCCN1Cc1cccc2c1NCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine?
The InChIKey is DIDINUOPRVSWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-14-11-18-9-8-17(14)10-13-5-3-4-12-6-7-16-15(12)13/h3-5,14,16H,2,6-11H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine has a molecular weight of 246.35 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-3-ethylmorpholine is sourced from PubChem (CID 113277983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).