3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene

C19H14NO2+ — CID 164722064

IUPAC3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
SMILESCc1c2c(cc3ccoc13)Oc1cccc3cc[n+](C)c-2c13
InChIInChI=1S/C19H14NO2/c1-11-16-15(10-13-7-9-21-19(11)13)22-14-5-3-4-12-6-8-20(2)18(16)17(12)14/h3-10H,1-2H3/q+1
InChIKeyOMOMCHXNBCGGCP-UHFFFAOYSA-N
MW288.33 g/mol
LogP4.49
Rot. Bonds

About 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene

3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene (PubChem CID 164722064) has the molecular formula C19H14NO2+ and a molecular weight of 288.33 g/mol. Its IUPAC name is 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene.

Molecular Properties

Compound Name3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
PubChem CID164722064
Molecular FormulaC19H14NO2+
Molecular Weight288.33 g/mol
Exact Mass288.10
IUPAC Name3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene
SMILESCc1c2c(cc3ccoc13)Oc1cccc3cc[n+](C)c-2c13
InChIInChI=1S/C19H14NO2/c1-11-16-15(10-13-7-9-21-19(11)13)22-14-5-3-4-12-6-8-20(2)18(16)17(12)14/h3-10H,1-2H3/q+1
InChIKeyOMOMCHXNBCGGCP-UHFFFAOYSA-N
XLogP4.49
TPSA26.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene with MolForge

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Related Compounds

(3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaen-14-yl)-trimethylsilane
CID 164722859
14-(2-isocyano-2-methylpropyl)-3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12(20),13,15,17-nonaene
CID 164722371
15-(2,6-dimethylphenyl)-3,20-dimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722657
15-isocyano-3,20-dimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 166496776
3,16,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722510
3,24-dimethyl-19-phenyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732700
(3,20-dimethyl-12-oxa-7-aza-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2(11),3,5,7,9,13(21),14,16,18-decaen-15-yl)-dimethyl-phenylsilane
CID 164722905
16-cyclopentyl-3,24-dimethyl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene
CID 168732098
14-cyclohexyl-3,9,19-trimethyl-7,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,5,8,12(20),13,15,17-nonaene
CID 164722734
15-cyclopentyl-3,16,20-trimethyl-12-oxa-20-azoniapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
CID 164722331
6-methyl-7-(2,3,5-trimethylphenyl)furo[2,3-c]pyridin-6-ium
CID 166501216
14-cyclopentyl-3,19-dimethyl-11-oxa-7-thia-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),5,9,12(20),13,15,17-nonaene
CID 164722883

Frequently Asked Questions

What is the IUPAC name of 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The IUPAC name of 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene (CID 164722064) is 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene.
What is the SMILES notation for 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The canonical SMILES for 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene is Cc1c2c(cc3ccoc13)Oc1cccc3cc[n+](C)c-2c13.
What is the InChIKey of 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
The InChIKey is OMOMCHXNBCGGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14NO2/c1-11-16-15(10-13-7-9-21-19(11)13)22-14-5-3-4-12-6-8-20(2)18(16)17(12)14/h3-10H,1-2H3/q+1.
What are the key properties of 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene?
3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene has a molecular weight of 288.33 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,19-dimethyl-5,11-dioxa-19-azoniapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2(10),3,6,8,12,14,16(20),17-nonaene is sourced from PubChem (CID 164722064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).