(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

C22H26N4 — CID 15459547

IUPAC(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
SMILESCN1c2ccccc2[C@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@H]12
InChIInChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKeyJKUVEXHEQZKNSO-GXRSIYKFSA-N
MW346.48 g/mol
LogP2.40
Rot. Bonds1

About (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

(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 (PubChem CID 15459547) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID15459547
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name(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
SMILESCN1c2ccccc2[C@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@H]12
InChIInChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1
InChIKeyJKUVEXHEQZKNSO-GXRSIYKFSA-N
XLogP2.40
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1c2ccccc2[C@]2([C@@]34CCN[C@@H]3N(C)c3ccccc34)CCN[C@H]12.
What is the InChIKey of (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?
The InChIKey is JKUVEXHEQZKNSO-GXRSIYKFSA-N. The full InChI is InChI=1S/C22H26N4/c1-25-17-9-5-3-7-15(17)21(11-13-23-19(21)25)22-12-14-24-20(22)26(2)18-10-6-4-8-16(18)22/h3-10,19-20,23-24H,11-14H2,1-2H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 346.48 g/mol, XLogP of 2.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 15459547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).