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

C19H22N2O — CID 162668542

IUPAC(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole
SMILESCO[C@]12CCN(C)[C@@]1(c1ccccc1)N(C)c1ccccc12
InChIInChI=1S/C19H22N2O/c1-20-14-13-18(22-3)16-11-7-8-12-17(16)21(2)19(18,20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t18-,19-/m0/s1
InChIKeyGNEMIQGBJHVYGT-OALUTQOASA-N
MW294.40 g/mol
LogP3.17
Rot. Bonds2

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

(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole (PubChem CID 162668542) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole
PubChem CID162668542
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole
SMILESCO[C@]12CCN(C)[C@@]1(c1ccccc1)N(C)c1ccccc12
InChIInChI=1S/C19H22N2O/c1-20-14-13-18(22-3)16-11-7-8-12-17(16)21(2)19(18,20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t18-,19-/m0/s1
InChIKeyGNEMIQGBJHVYGT-OALUTQOASA-N
XLogP3.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole?
The IUPAC name of (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole (CID 162668542) is (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole.
What is the SMILES notation for (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole?
The canonical SMILES for (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole is CO[C@]12CCN(C)[C@@]1(c1ccccc1)N(C)c1ccccc12.
What is the InChIKey of (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole?
The InChIKey is GNEMIQGBJHVYGT-OALUTQOASA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-14-13-18(22-3)16-11-7-8-12-17(16)21(2)19(18,20)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/t18-,19-/m0/s1.
What are the key properties of (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole?
(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole has a molecular weight of 294.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole is sourced from PubChem (CID 162668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).