(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol

C18H20N2O — CID 162648517

IUPAC(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CC[C@]2(O)c3ccccc3N(C)[C@]12c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19-13-12-17(21)15-10-6-7-11-16(15)20(2)18(17,19)14-8-4-3-5-9-14/h3-11,21H,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyBMDBRSCYSSXTIY-ROUUACIJSA-N
MW280.37 g/mol
LogP2.51
Rot. Bonds1

About (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol

(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol (PubChem CID 162648517) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol.

Molecular Properties

Compound Name(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
PubChem CID162648517
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol
SMILESCN1CC[C@]2(O)c3ccccc3N(C)[C@]12c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19-13-12-17(21)15-10-6-7-11-16(15)20(2)18(17,19)14-8-4-3-5-9-14/h3-11,21H,12-13H2,1-2H3/t17-,18-/m0/s1
InChIKeyBMDBRSCYSSXTIY-ROUUACIJSA-N
XLogP2.51
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The IUPAC name of (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol (CID 162648517) is (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol.
What is the SMILES notation for (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The canonical SMILES for (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol is CN1CC[C@]2(O)c3ccccc3N(C)[C@]12c1ccccc1.
What is the InChIKey of (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
The InChIKey is BMDBRSCYSSXTIY-ROUUACIJSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19-13-12-17(21)15-10-6-7-11-16(15)20(2)18(17,19)14-8-4-3-5-9-14/h3-11,21H,12-13H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol?
(3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol has a molecular weight of 280.37 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indol-8b-ol is sourced from PubChem (CID 162648517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).