11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol

C15H20N4O5 — CID 4548606

IUPAC11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
SMILES[O-][N+]1=C2CCc3c(no[n+]3[O-])C2(O)C2CCCC21N1CCOCC1
InChIInChI=1S/C15H20N4O5/c20-15-11-2-1-5-14(11,17-6-8-23-9-7-17)18(21)12(15)4-3-10-13(15)16-24-19(10)22/h11,20H,1-9H2
InChIKeyBCHAWVBICZFBNU-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.76
Rot. Bonds1

About 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol

11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol (PubChem CID 4548606) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol.

Molecular Properties

Compound Name11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
PubChem CID4548606
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol
SMILES[O-][N+]1=C2CCc3c(no[n+]3[O-])C2(O)C2CCCC21N1CCOCC1
InChIInChI=1S/C15H20N4O5/c20-15-11-2-1-5-14(11,17-6-8-23-9-7-17)18(21)12(15)4-3-10-13(15)16-24-19(10)22/h11,20H,1-9H2
InChIKeyBCHAWVBICZFBNU-UHFFFAOYSA-N
XLogP-0.76
TPSA111.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol with MolForge

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Related Compounds

(4E,4aR,4bS,8aS)-4-hydroxyimino-8a-morpholin-4-yl-9-oxido-1,2,3,4b,5,6,7,8-octahydrocarbazol-9-ium-4a-ol
CID 98551589
(7R,8R,8aS)-8-methyl-7-morpholin-4-yl-3,6-dioxido-4,5,7,8-tetrahydropyrrolo[2,3-g][2,1,3]benzoxadiazole-3,6-diium-8a-ol
CID 51586487
(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
4-(6,6-diphenyl-1-bicyclo[3.1.0]hexanyl)morpholine
CID 23848485
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
1',5-dimorpholin-4-yl-7,7'-spirobi[bicyclo[3.2.0]heptane]-6,6'-dione
CID 10785626
(1S,5R)-1-morpholin-4-yl-6lambda6-thiabicyclo[3.2.0]heptane 6,6-dioxide
CID 871995
4-[(3aR,7aS)-3-(4-nitrophenyl)-5,6,7,7a-tetrahydro-4H-benzotriazol-3a-yl]morpholine
CID 7859789
2-(4-tert-butyl-1-morpholin-4-ylcycloheptyl)acetic acid
CID 65094530
2-(1-morpholin-4-ylcycloheptyl)acetic acid
CID 64527342
2,2-dimethyl-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
CID 79848658

Frequently Asked Questions

What is the IUPAC name of 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The IUPAC name of 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol (CID 4548606) is 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol.
What is the SMILES notation for 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The canonical SMILES for 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol is [O-][N+]1=C2CCc3c(no[n+]3[O-])C2(O)C2CCCC21N1CCOCC1.
What is the InChIKey of 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
The InChIKey is BCHAWVBICZFBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c20-15-11-2-1-5-14(11,17-6-8-23-9-7-17)18(21)12(15)4-3-10-13(15)16-24-19(10)22/h11,20H,1-9H2.
What are the key properties of 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol?
11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol has a molecular weight of 336.35 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-morpholin-4-yl-5,10-dioxido-4-oxa-3-aza-5,10-diazoniatetracyclo[7.6.0.02,6.011,15]pentadeca-2,5,9-trien-1-ol is sourced from PubChem (CID 4548606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).