(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole

C19H22N2 — CID 134962187

IUPAC(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole
SMILESCN1c2ccccc2[C@]2(C)C1NC[C@@]2(C)c1ccccc1
InChIInChI=1S/C19H22N2/c1-18(14-9-5-4-6-10-14)13-20-17-19(18,2)15-11-7-8-12-16(15)21(17)3/h4-12,17,20H,13H2,1-3H3/t17?,18-,19+/m0/s1
InChIKeyIXXZYZCNQOGKSB-JLMCIHFGSA-N
MW278.40 g/mol
LogP3.28
Rot. Bonds1

About (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole

(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole (PubChem CID 134962187) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole
PubChem CID134962187
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole
SMILESCN1c2ccccc2[C@]2(C)C1NC[C@@]2(C)c1ccccc1
InChIInChI=1S/C19H22N2/c1-18(14-9-5-4-6-10-14)13-20-17-19(18,2)15-11-7-8-12-16(15)21(17)3/h4-12,17,20H,13H2,1-3H3/t17?,18-,19+/m0/s1
InChIKeyIXXZYZCNQOGKSB-JLMCIHFGSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole with MolForge

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Related Compounds

(3aR,8bS)-8b-[(3aR,8bS)-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl]-4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CID 15459547
4-methyl-8b-(4-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-8b-yl)-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole
CID 162970300
(1R)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline-1-carboxylic acid
CID 96722457
4,6,10b-trimethyl-5a,11-dihydro-5H-indolo[2,3-b]quinoline
CID 72663407
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 13000841
2-(1,3,3-trimethyl-2H-indol-2-yl)acetonitrile
CID 67262655
1-[(2S,3S)-2,3-diphenylaziridin-2-yl]-3,3-dimethylindol-2-one
CID 132540375
(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
3,3-difluoro-4-methyl-4-phenylpyrrolidine
CID 115020965

Frequently Asked Questions

What is the IUPAC name of (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole?
The IUPAC name of (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole (CID 134962187) is (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole.
What is the SMILES notation for (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole?
The canonical SMILES for (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole is CN1c2ccccc2[C@]2(C)C1NC[C@@]2(C)c1ccccc1.
What is the InChIKey of (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole?
The InChIKey is IXXZYZCNQOGKSB-JLMCIHFGSA-N. The full InChI is InChI=1S/C19H22N2/c1-18(14-9-5-4-6-10-14)13-20-17-19(18,2)15-11-7-8-12-16(15)21(17)3/h4-12,17,20H,13H2,1-3H3/t17?,18-,19+/m0/s1.
What are the key properties of (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole?
(1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole has a molecular weight of 278.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8bR)-1,4,8b-trimethyl-1-phenyl-3,3a-dihydro-2H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 134962187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).