1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]

C19H28N2O2 — CID 124625116

IUPAC1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]
SMILESC[C@H]1COCCN1CCN1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H28N2O2/c1-16-14-23-13-10-20(16)8-9-21-15-19(6-11-22-12-7-19)17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3/t16-/m0/s1
InChIKeyUFZHXGUIOINEIH-INIZCTEOSA-N
MW316.45 g/mol
LogP2.28
Rot. Bonds3

About 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]

1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane] (PubChem CID 124625116) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane].

Molecular Properties

Compound Name1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]
PubChem CID124625116
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]
SMILESC[C@H]1COCCN1CCN1CC2(CCOCC2)c2ccccc21
InChIInChI=1S/C19H28N2O2/c1-16-14-23-13-10-20(16)8-9-21-15-19(6-11-22-12-7-19)17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3/t16-/m0/s1
InChIKeyUFZHXGUIOINEIH-INIZCTEOSA-N
XLogP2.28
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]?
The IUPAC name of 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane] (CID 124625116) is 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane].
What is the SMILES notation for 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]?
The canonical SMILES for 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane] is C[C@H]1COCCN1CCN1CC2(CCOCC2)c2ccccc21.
What is the InChIKey of 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]?
The InChIKey is UFZHXGUIOINEIH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16-14-23-13-10-20(16)8-9-21-15-19(6-11-22-12-7-19)17-4-2-3-5-18(17)21/h2-5,16H,6-15H2,1H3/t16-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane]?
1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane] has a molecular weight of 316.45 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]spiro[2H-indole-3,4'-oxane] is sourced from PubChem (CID 124625116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).