(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one

C23H27N3O — CID 7786013

IUPAC(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
SMILESN[C@@]12Nc3ccccc3[C@]1(Cc1ccccc1)CN(C1CCCCC1)C2=O
InChIInChI=1S/C23H27N3O/c24-23-21(27)26(18-11-5-2-6-12-18)16-22(23,15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-23/h1,3-4,7-10,13-14,18,25H,2,5-6,11-12,15-16,24H2/t22-,23-/m0/s1
InChIKeyCSSTUERPZHFWAY-GOTSBHOMSA-N
MW361.49 g/mol
LogP3.42
Rot. Bonds3

About (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one

(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (PubChem CID 7786013) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one.

Molecular Properties

Compound Name(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
PubChem CID7786013
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
SMILESN[C@@]12Nc3ccccc3[C@]1(Cc1ccccc1)CN(C1CCCCC1)C2=O
InChIInChI=1S/C23H27N3O/c24-23-21(27)26(18-11-5-2-6-12-18)16-22(23,15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-23/h1,3-4,7-10,13-14,18,25H,2,5-6,11-12,15-16,24H2/t22-,23-/m0/s1
InChIKeyCSSTUERPZHFWAY-GOTSBHOMSA-N
XLogP3.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one with MolForge

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Launch Full Analysis

Related Compounds

3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
CID 3522304
[(3aS,8bR)-8b-benzyl-2-cyclohexyl-3-oxo-1,4-dihydropyrrolo[3,4-b]indol-3a-yl]azanium
CID 7786014
(1S,3aS,8bR)-3a-amino-1-N,8b-N-dibenzyl-2-cyclohexyl-3-oxo-1,4-dihydropyrrolo[3,4-b]indole-1,8b-dicarboxamide
CID 124540079
(3aR,8bR)-3a-amino-7-chloro-2-cyclohexyl-8b-methyl-1,4-dihydropyrrolo[3,4-b]indol-3-one
CID 39354027
(4S,9aS)-4-benzyl-4-methyl-1,2,7,8,9,9a-hexahydropyrrolo[1,2-d][1,4]thiazepin-5-one
CID 11448762
methyl 1-cyclohexyl-2-oxo-3-(2-phenylethyl)azetidine-3-carboxylate
CID 25180548
(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95229978
3-amino-3-benzyl-1-phenylaziridin-2-one
CID 22094809
3-amino-5-cyclohexyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 18321635
6-benzyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 86151500
(3S)-3-benzyl-1-cyclohexylpyrrolidin-2-one
CID 129365070
1-benzyl-5-cyclohexylspiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-2',4,6-trione
CID 4894550

Frequently Asked Questions

What is the IUPAC name of (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one?
The IUPAC name of (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one (CID 7786013) is (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one.
What is the SMILES notation for (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one?
The canonical SMILES for (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one is N[C@@]12Nc3ccccc3[C@]1(Cc1ccccc1)CN(C1CCCCC1)C2=O.
What is the InChIKey of (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one?
The InChIKey is CSSTUERPZHFWAY-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H27N3O/c24-23-21(27)26(18-11-5-2-6-12-18)16-22(23,15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25-23/h1,3-4,7-10,13-14,18,25H,2,5-6,11-12,15-16,24H2/t22-,23-/m0/s1.
What are the key properties of (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one?
(3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one has a molecular weight of 361.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bR)-3a-amino-8b-benzyl-2-cyclohexyl-1,4-dihydropyrrolo[3,4-b]indol-3-one is sourced from PubChem (CID 7786013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).