(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine

C20H30BNO2 — CID 135011496

IUPAC(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine
SMILESCC(C)C(/C=C1/CCCn2cccc21)=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H30BNO2/c1-15(2)17(14-21-23-19(3,4)20(5,6)24-21)13-16-9-7-11-22-12-8-10-18(16)22/h8,10,12-15H,7,9,11H2,1-6H3/b16-13-,17-14-
InChIKeyRQPUCFPLAPZPOD-YKVSKMSXSA-N
MW327.28 g/mol
LogP4.88
Rot. Bonds3

About (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine

(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine (PubChem CID 135011496) has the molecular formula C20H30BNO2 and a molecular weight of 327.28 g/mol. Its IUPAC name is (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine.

Molecular Properties

Compound Name(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine
PubChem CID135011496
Molecular FormulaC20H30BNO2
Molecular Weight327.28 g/mol
Exact Mass327.24
IUPAC Name(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine
SMILESCC(C)C(/C=C1/CCCn2cccc21)=C\B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C20H30BNO2/c1-15(2)17(14-21-23-19(3,4)20(5,6)24-21)13-16-9-7-11-22-12-8-10-18(16)22/h8,10,12-15H,7,9,11H2,1-6H3/b16-13-,17-14-
InChIKeyRQPUCFPLAPZPOD-YKVSKMSXSA-N
XLogP4.88
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine with MolForge

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Related Compounds

1-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 16217778
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 2734656
Pyridine-2-boronic acid, pinacol ester
CID 11241171
2-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 16414272
2-Methylpyridine-4-boronic acid pinacol ester
CID 16414274
1-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 23058003
2-(Trifluoromethyl)pyridine-4-boronic acid, pinacol ester
CID 45785708
2-Phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 45786526
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)pyridine
CID 53482118
1-Benzyl-5-(4,4,5,5-tetramethyl-(1,3,2)dioxaborolan-2-yl)-1H-indole
CID 58374760
2-((E)-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl)pyridine
CID 72208460
2-Methylpyridine-3-boronic acid, pinacol ester
CID 16414271

Frequently Asked Questions

What is the IUPAC name of (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine?
The IUPAC name of (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine (CID 135011496) is (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine.
What is the SMILES notation for (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine?
The canonical SMILES for (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine is CC(C)C(/C=C1/CCCn2cccc21)=C\B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine?
The InChIKey is RQPUCFPLAPZPOD-YKVSKMSXSA-N. The full InChI is InChI=1S/C20H30BNO2/c1-15(2)17(14-21-23-19(3,4)20(5,6)24-21)13-16-9-7-11-22-12-8-10-18(16)22/h8,10,12-15H,7,9,11H2,1-6H3/b16-13-,17-14-.
What are the key properties of (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine?
(8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine has a molecular weight of 327.28 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-[(2E)-3-methyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]butylidene]-6,7-dihydro-5H-indolizine is sourced from PubChem (CID 135011496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).