7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole

C14H16BrNO — CID 79933960

IUPAC7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
SMILESCC1(C)OC(C)(C)c2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C14H16BrNO/c1-13(2)11-9-7-8(15)5-6-10(9)16-12(11)14(3,4)17-13/h5-7,16H,1-4H3
InChIKeyIHGFPUNGZPEYOM-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.43
Rot. Bonds

About 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole

7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole (PubChem CID 79933960) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole.

Molecular Properties

Compound Name7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
PubChem CID79933960
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole
SMILESCC1(C)OC(C)(C)c2c1[nH]c1ccc(Br)cc21
InChIInChI=1S/C14H16BrNO/c1-13(2)11-9-7-8(15)5-6-10(9)16-12(11)14(3,4)17-13/h5-7,16H,1-4H3
InChIKeyIHGFPUNGZPEYOM-UHFFFAOYSA-N
XLogP4.43
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole?
The IUPAC name of 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole (CID 79933960) is 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole.
What is the SMILES notation for 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole?
The canonical SMILES for 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole is CC1(C)OC(C)(C)c2c1[nH]c1ccc(Br)cc21.
What is the InChIKey of 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole?
The InChIKey is IHGFPUNGZPEYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-13(2)11-9-7-8(15)5-6-10(9)16-12(11)14(3,4)17-13/h5-7,16H,1-4H3.
What are the key properties of 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole?
7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole has a molecular weight of 294.19 g/mol, XLogP of 4.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,1,3,3-tetramethyl-4H-furo[3,4-b]indole is sourced from PubChem (CID 79933960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).