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

C15H22N2 — CID 25053474

IUPAC4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCCN1c2ccccc2C2(CC)CCN(C)C12
InChIInChI=1S/C15H22N2/c1-4-15-10-11-16(3)14(15)17(5-2)13-9-7-6-8-12(13)15/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyOSITUDRHKICEAS-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.84
Rot. Bonds2

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

4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (PubChem CID 25053474) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.

Molecular Properties

Compound Name4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
PubChem CID25053474
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
SMILESCCN1c2ccccc2C2(CC)CCN(C)C12
InChIInChI=1S/C15H22N2/c1-4-15-10-11-16(3)14(15)17(5-2)13-9-7-6-8-12(13)15/h6-9,14H,4-5,10-11H2,1-3H3
InChIKeyOSITUDRHKICEAS-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The IUPAC name of 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole (CID 25053474) is 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole.
What is the SMILES notation for 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The canonical SMILES for 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is CCN1c2ccccc2C2(CC)CCN(C)C12.
What is the InChIKey of 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
The InChIKey is OSITUDRHKICEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-15-10-11-16(3)14(15)17(5-2)13-9-7-6-8-12(13)15/h6-9,14H,4-5,10-11H2,1-3H3.
What are the key properties of 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole?
4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole has a molecular weight of 230.36 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8b-diethyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole is sourced from PubChem (CID 25053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).