(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol

C10H11NO2 — CID 11355813

IUPAC(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
SMILESO[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C10H11NO2/c12-10-5-6-13-9(10)11-8-4-2-1-3-7(8)10/h1-4,9,11-12H,5-6H2/t9-,10+/m0/s1
InChIKeyARMDWESWZUMWSO-VHSXEESVSA-N
MW177.20 g/mol
LogP1.05
Rot. Bonds

About (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol

(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol (PubChem CID 11355813) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
PubChem CID11355813
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol
SMILESO[C@@]12CCO[C@@H]1Nc1ccccc12
InChIInChI=1S/C10H11NO2/c12-10-5-6-13-9(10)11-8-4-2-1-3-7(8)10/h1-4,9,11-12H,5-6H2/t9-,10+/m0/s1
InChIKeyARMDWESWZUMWSO-VHSXEESVSA-N
XLogP1.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol?
The IUPAC name of (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol (CID 11355813) is (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol.
What is the SMILES notation for (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol?
The canonical SMILES for (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol is O[C@@]12CCO[C@@H]1Nc1ccccc12.
What is the InChIKey of (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol?
The InChIKey is ARMDWESWZUMWSO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-5-6-13-9(10)11-8-4-2-1-3-7(8)10/h1-4,9,11-12H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol?
(3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol has a molecular weight of 177.20 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-1,2,3a,4-tetrahydrofuro[2,3-b]indol-8b-ol is sourced from PubChem (CID 11355813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).