(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole

C17H17NO — CID 6542885

IUPAC(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESC[C@]12CCO[C@H]1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C17H17NO/c1-17-11-12-19-16(17)18(13-7-3-2-4-8-13)15-10-6-5-9-14(15)17/h2-10,16H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyLYEMDWOVMXRHTL-IAGOWNOFSA-N
MW251.33 g/mol
LogP3.84
Rot. Bonds1

About (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole

(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 6542885) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID6542885
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESC[C@]12CCO[C@H]1N(c1ccccc1)c1ccccc12
InChIInChI=1S/C17H17NO/c1-17-11-12-19-16(17)18(13-7-3-2-4-8-13)15-10-6-5-9-14(15)17/h2-10,16H,11-12H2,1H3/t16-,17-/m1/s1
InChIKeyLYEMDWOVMXRHTL-IAGOWNOFSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole (CID 6542885) is (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole is C[C@]12CCO[C@H]1N(c1ccccc1)c1ccccc12.
What is the InChIKey of (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is LYEMDWOVMXRHTL-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H17NO/c1-17-11-12-19-16(17)18(13-7-3-2-4-8-13)15-10-6-5-9-14(15)17/h2-10,16H,11-12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole?
(3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 251.33 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-8b-methyl-4-phenyl-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 6542885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).