(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene

C15H20N4O3 — CID 6581081

IUPAC(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene
SMILES[O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C15H20N4O3/c20-19-12-4-3-11-14(17-22-16-11)13(12)10-2-1-5-15(10,19)18-6-8-21-9-7-18/h10,13H,1-9H2/t10-,13+,15-/m0/s1
InChIKeyVUVWTFLFMZIMLX-ZBINZKHDSA-N
MW304.35 g/mol
LogP0.89
Rot. Bonds1

About (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene

(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene (PubChem CID 6581081) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene.

Molecular Properties

Compound Name(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene
PubChem CID6581081
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene
SMILES[O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C15H20N4O3/c20-19-12-4-3-11-14(17-22-16-11)13(12)10-2-1-5-15(10,19)18-6-8-21-9-7-18/h10,13H,1-9H2/t10-,13+,15-/m0/s1
InChIKeyVUVWTFLFMZIMLX-ZBINZKHDSA-N
XLogP0.89
TPSA77.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene?
The IUPAC name of (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene (CID 6581081) is (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene.
What is the SMILES notation for (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene?
The canonical SMILES for (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene is [O-][N+]1=C2CCc3nonc3[C@@H]2[C@@H]2CCC[C@@]21N1CCOCC1.
What is the InChIKey of (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene?
The InChIKey is VUVWTFLFMZIMLX-ZBINZKHDSA-N. The full InChI is InChI=1S/C15H20N4O3/c20-19-12-4-3-11-14(17-22-16-11)13(12)10-2-1-5-15(10,19)18-6-8-21-9-7-18/h10,13H,1-9H2/t10-,13+,15-/m0/s1.
What are the key properties of (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene?
(1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene has a molecular weight of 304.35 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,11S,15S)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-triene is sourced from PubChem (CID 6581081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).