[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone

C17H22N2O3 — CID 164699320

IUPAC[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
SMILESCN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1
InChIInChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1
InChIKeyJQPXVJXTMWFHBR-AWEZNQCLSA-N
MW302.37 g/mol
LogP0.78
Rot. Bonds1

About [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone

[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone (PubChem CID 164699320) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone.

Molecular Properties

Compound Name[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
PubChem CID164699320
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone
SMILESCN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1
InChIInChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1
InChIKeyJQPXVJXTMWFHBR-AWEZNQCLSA-N
XLogP0.78
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The IUPAC name of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone (CID 164699320) is [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone.
What is the SMILES notation for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The canonical SMILES for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone is CN1CCOC[C@H]1C(=O)N1CC2(COc3ccccc3C2)C1.
What is the InChIKey of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
The InChIKey is JQPXVJXTMWFHBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-6-7-21-9-14(18)16(20)19-10-17(11-19)8-13-4-2-3-5-15(13)22-12-17/h2-5,14H,6-12H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone?
[(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone has a molecular weight of 302.37 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-4-methylmorpholin-3-yl]-spiro[2,4-dihydrochromene-3,3'-azetidine]-1'-ylmethanone is sourced from PubChem (CID 164699320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).