11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]

C19H24BNO2 — CID 139185347

IUPAC11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]
SMILESCCc1ccc2c(c1)[B-]1(OC(C)(C)C(C)(C)O1)[n+]1ccccc1-2
InChIInChI=1S/C19H24BNO2/c1-6-14-10-11-15-16(13-14)20(21-12-8-7-9-17(15)21)22-18(2,3)19(4,5)23-20/h7-13H,6H2,1-5H3
InChIKeyDSPQWXOTVWMVPB-UHFFFAOYSA-N
MW309.22 g/mol
LogP2.82
Rot. Bonds1

About 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]

11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] (PubChem CID 139185347) has the molecular formula C19H24BNO2 and a molecular weight of 309.22 g/mol. Its IUPAC name is 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene].

Molecular Properties

Compound Name11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]
PubChem CID139185347
Molecular FormulaC19H24BNO2
Molecular Weight309.22 g/mol
Exact Mass309.19
IUPAC Name11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]
SMILESCCc1ccc2c(c1)[B-]1(OC(C)(C)C(C)(C)O1)[n+]1ccccc1-2
InChIInChI=1S/C19H24BNO2/c1-6-14-10-11-15-16(13-14)20(21-12-8-7-9-17(15)21)22-18(2,3)19(4,5)23-20/h7-13H,6H2,1-5H3
InChIKeyDSPQWXOTVWMVPB-UHFFFAOYSA-N
XLogP2.82
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.22
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Triprolidine
CID 5282443
Triprolidine Hydrochloride Anhydrous
CID 5702129
Triprolidine hydrochloride monohydrate
CID 5284472
2-[(Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine
CID 688585
1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 16217778
1,6-Dimethyl-2-phenyl-4,5-dihydro-3a,5a-diaza-as-indacene
CID 778625
2-[1-[2-(2-pyrrolidin-1-ylethyl)-3H-inden-1-yl]ethyl]pyridine
CID 11099206
(4S,9aS)-3-methyl-4-phenyl-4,5,7,8,9,9a-hexahydropyrrolo[2,3-g]indolizine;hydrobromide
CID 54585658
1-(4-Methylphenyl)-1-(2-pyridyl)-3-pyrrolidino prop-1-ene
CID 5588
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 10848590
2-Phenyl-5,6,7,8-tetrahydroindolizine
CID 15031649
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 16217784

Frequently Asked Questions

What is the IUPAC name of 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]?
The IUPAC name of 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] (CID 139185347) is 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene].
What is the SMILES notation for 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]?
The canonical SMILES for 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] is CCc1ccc2c(c1)[B-]1(OC(C)(C)C(C)(C)O1)[n+]1ccccc1-2.
What is the InChIKey of 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]?
The InChIKey is DSPQWXOTVWMVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BNO2/c1-6-14-10-11-15-16(13-14)20(21-12-8-7-9-17(15)21)22-18(2,3)19(4,5)23-20/h7-13H,6H2,1-5H3.
What are the key properties of 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene]?
11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] has a molecular weight of 309.22 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11'-ethyl-4,4,5,5-tetramethylspiro[1,3-dioxa-2-boranuidacyclopentane-2,8'-7-azonia-8-boranuidatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene] is sourced from PubChem (CID 139185347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).