(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol

C22H27N3O2 — CID 162653305

IUPAC(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CC[C@@]2(O)c3cc(N4CCOCC4)ccc3N(C)[C@@]12c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23-11-10-21(26)19-16-18(25-12-14-27-15-13-25)8-9-20(19)24(2)22(21,23)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyDBWPOSGITJRQNX-FGZHOGPDSA-N
MW365.48 g/mol
LogP2.35
Rot. Bonds2

About (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol

(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol (PubChem CID 162653305) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
PubChem CID162653305
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CC[C@@]2(O)c3cc(N4CCOCC4)ccc3N(C)[C@@]12c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-23-11-10-21(26)19-16-18(25-12-14-27-15-13-25)8-9-20(19)24(2)22(21,23)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyDBWPOSGITJRQNX-FGZHOGPDSA-N
XLogP2.35
TPSA39.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol 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)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The IUPAC name of (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol (CID 162653305) is (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol.
What is the SMILES notation for (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The canonical SMILES for (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol is CN1CC[C@@]2(O)c3cc(N4CCOCC4)ccc3N(C)[C@@]12c1ccccc1.
What is the InChIKey of (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The InChIKey is DBWPOSGITJRQNX-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-11-10-21(26)19-16-18(25-12-14-27-15-13-25)8-9-20(19)24(2)22(21,23)17-6-4-3-5-7-17/h3-9,16,26H,10-15H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
(3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol has a molecular weight of 365.48 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-3,4-dimethyl-7-morpholin-4-yl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol is sourced from PubChem (CID 162653305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).