4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

C26H28N2O — CID 25053473

IUPAC4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(Cc3ccccc3)CCN(C)C1N2Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-27-16-15-26(18-20-9-5-3-6-10-20)23-17-22(29-2)13-14-24(23)28(25(26)27)19-21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3
InChIKeyDPNSCHBYEBLOPZ-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.86
Rot. Bonds5

About 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole

4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053473) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053473
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC Name4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(Cc3ccccc3)CCN(C)C1N2Cc1ccccc1
InChIInChI=1S/C26H28N2O/c1-27-16-15-26(18-20-9-5-3-6-10-20)23-17-22(29-2)13-14-24(23)28(25(26)27)19-21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3
InChIKeyDPNSCHBYEBLOPZ-UHFFFAOYSA-N
XLogP4.86
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053473) is 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is COc1ccc2c(c1)C1(Cc3ccccc3)CCN(C)C1N2Cc1ccccc1.
What is the InChIKey of 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is DPNSCHBYEBLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-27-16-15-26(18-20-9-5-3-6-10-20)23-17-22(29-2)13-14-24(23)28(25(26)27)19-21-11-7-4-8-12-21/h3-14,17,25H,15-16,18-19H2,1-2H3.
What are the key properties of 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 384.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8b-dibenzyl-7-methoxy-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).