3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole

C19H20BNO3 — CID 89233230

IUPAC3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole
SMILESC=C1OB(c2cc3c4ccccc4n(C)c3cc2OC)OC1(C)C
InChIInChI=1S/C19H20BNO3/c1-12-19(2,3)24-20(23-12)15-10-14-13-8-6-7-9-16(13)21(4)17(14)11-18(15)22-5/h6-11H,1H2,2-5H3
InChIKeyMAODAEXYFANFKE-UHFFFAOYSA-N
MW321.19 g/mol
LogP3.37
Rot. Bonds2

About 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole

3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole (PubChem CID 89233230) has the molecular formula C19H20BNO3 and a molecular weight of 321.19 g/mol. Its IUPAC name is 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole.

Molecular Properties

Compound Name3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole
PubChem CID89233230
Molecular FormulaC19H20BNO3
Molecular Weight321.19 g/mol
Exact Mass321.15
IUPAC Name3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole
SMILESC=C1OB(c2cc3c4ccccc4n(C)c3cc2OC)OC1(C)C
InChIInChI=1S/C19H20BNO3/c1-12-19(2,3)24-20(23-12)15-10-14-13-8-6-7-9-16(13)21(4)17(14)11-18(15)22-5/h6-11H,1H2,2-5H3
InChIKeyMAODAEXYFANFKE-UHFFFAOYSA-N
XLogP3.37
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole?
The IUPAC name of 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole (CID 89233230) is 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole.
What is the SMILES notation for 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole?
The canonical SMILES for 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole is C=C1OB(c2cc3c4ccccc4n(C)c3cc2OC)OC1(C)C.
What is the InChIKey of 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole?
The InChIKey is MAODAEXYFANFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BNO3/c1-12-19(2,3)24-20(23-12)15-10-14-13-8-6-7-9-16(13)21(4)17(14)11-18(15)22-5/h6-11H,1H2,2-5H3.
What are the key properties of 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole?
3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole has a molecular weight of 321.19 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-2-methoxy-9-methylcarbazole is sourced from PubChem (CID 89233230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).