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

C15H20N4O4 — CID 1376763

IUPAC(1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
SMILES[O-][N+]1=C2CCc3nonc3[C@]2(O)[C@@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C15H20N4O4/c20-15-11-2-1-5-14(11,18-6-8-22-9-7-18)19(21)12(15)4-3-10-13(15)17-23-16-10/h11,20H,1-9H2/t11-,14+,15+/m1/s1
InChIKeyHMPOXIXECQTLTG-UGFHNGPFSA-N
MW320.35 g/mol
LogP-0.00
Rot. Bonds1

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

(1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol (PubChem CID 1376763) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol.

Molecular Properties

Compound Name(1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
PubChem CID1376763
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name(1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
SMILES[O-][N+]1=C2CCc3nonc3[C@]2(O)[C@@H]2CCC[C@@]21N1CCOCC1
InChIInChI=1S/C15H20N4O4/c20-15-11-2-1-5-14(11,18-6-8-22-9-7-18)19(21)12(15)4-3-10-13(15)17-23-16-10/h11,20H,1-9H2/t11-,14+,15+/m1/s1
InChIKeyHMPOXIXECQTLTG-UGFHNGPFSA-N
XLogP-0.00
TPSA97.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The IUPAC name of (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol (CID 1376763) is (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol.
What is the SMILES notation for (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The canonical SMILES for (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol is [O-][N+]1=C2CCc3nonc3[C@]2(O)[C@@H]2CCC[C@@]21N1CCOCC1.
What is the InChIKey of (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The InChIKey is HMPOXIXECQTLTG-UGFHNGPFSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-15-11-2-1-5-14(11,18-6-8-22-9-7-18)19(21)12(15)4-3-10-13(15)17-23-16-10/h11,20H,1-9H2/t11-,14+,15+/m1/s1.
What are the key properties of (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
(1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol has a molecular weight of 320.35 g/mol, XLogP of -0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,11S,15R)-11-morpholin-4-yl-10-oxido-4-oxa-3,5-diaza-10-azoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol is sourced from PubChem (CID 1376763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).