6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one

C20H24BrNO2 — CID 85250985

IUPAC6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESCC(C)=CCN1c2cc(Br)ccc2C2(CC=C(C)C)CC(=O)OC12
InChIInChI=1S/C20H24BrNO2/c1-13(2)7-9-20-12-18(23)24-19(20)22(10-8-14(3)4)17-11-15(21)5-6-16(17)20/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyHINYSXMMFNABML-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.10
Rot. Bonds4

About 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one

6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one (PubChem CID 85250985) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one.

Molecular Properties

Compound Name6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
PubChem CID85250985
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one
SMILESCC(C)=CCN1c2cc(Br)ccc2C2(CC=C(C)C)CC(=O)OC12
InChIInChI=1S/C20H24BrNO2/c1-13(2)7-9-20-12-18(23)24-19(20)22(10-8-14(3)4)17-11-15(21)5-6-16(17)20/h5-8,11,19H,9-10,12H2,1-4H3
InChIKeyHINYSXMMFNABML-UHFFFAOYSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The IUPAC name of 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one (CID 85250985) is 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one.
What is the SMILES notation for 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The canonical SMILES for 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one is CC(C)=CCN1c2cc(Br)ccc2C2(CC=C(C)C)CC(=O)OC12.
What is the InChIKey of 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
The InChIKey is HINYSXMMFNABML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-13(2)7-9-20-12-18(23)24-19(20)22(10-8-14(3)4)17-11-15(21)5-6-16(17)20/h5-8,11,19H,9-10,12H2,1-4H3.
What are the key properties of 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one?
6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one has a molecular weight of 390.32 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,8b-bis(3-methylbut-2-enyl)-1,3a-dihydrofuro[2,3-b]indol-2-one is sourced from PubChem (CID 85250985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).