(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one

C17H23BrN2OSi — CID 23624954

IUPAC(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
SMILESC=CC[C@]12c3ccc(Br)cc3N[C@H]1N(C)C(=O)[C@H]2[Si](C)(C)C
InChIInChI=1S/C17H23BrN2OSi/c1-6-9-17-12-8-7-11(18)10-13(12)19-16(17)20(2)15(21)14(17)22(3,4)5/h6-8,10,14,16,19H,1,9H2,2-5H3/t14-,16+,17-/m1/s1
InChIKeyPVLIVOKHXQKNRH-HYVNUMGLSA-N
MW379.37 g/mol
LogP4.20
Rot. Bonds3

About (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one

(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one (PubChem CID 23624954) has the molecular formula C17H23BrN2OSi and a molecular weight of 379.37 g/mol. Its IUPAC name is (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one.

Molecular Properties

Compound Name(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
PubChem CID23624954
Molecular FormulaC17H23BrN2OSi
Molecular Weight379.37 g/mol
Exact Mass378.08
IUPAC Name(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one
SMILESC=CC[C@]12c3ccc(Br)cc3N[C@H]1N(C)C(=O)[C@H]2[Si](C)(C)C
InChIInChI=1S/C17H23BrN2OSi/c1-6-9-17-12-8-7-11(18)10-13(12)19-16(17)20(2)15(21)14(17)22(3,4)5/h6-8,10,14,16,19H,1,9H2,2-5H3/t14-,16+,17-/m1/s1
InChIKeyPVLIVOKHXQKNRH-HYVNUMGLSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The IUPAC name of (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one (CID 23624954) is (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one.
What is the SMILES notation for (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The canonical SMILES for (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one is C=CC[C@]12c3ccc(Br)cc3N[C@H]1N(C)C(=O)[C@H]2[Si](C)(C)C.
What is the InChIKey of (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
The InChIKey is PVLIVOKHXQKNRH-HYVNUMGLSA-N. The full InChI is InChI=1S/C17H23BrN2OSi/c1-6-9-17-12-8-7-11(18)10-13(12)19-16(17)20(2)15(21)14(17)22(3,4)5/h6-8,10,14,16,19H,1,9H2,2-5H3/t14-,16+,17-/m1/s1.
What are the key properties of (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one?
(1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one has a molecular weight of 379.37 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3aS,8bS)-6-bromo-3-methyl-8b-prop-2-enyl-1-trimethylsilyl-3a,4-dihydro-1H-pyrrolo[2,3-b]indol-2-one is sourced from PubChem (CID 23624954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).