3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole

C15H21NO — CID 14847293

IUPAC3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole
SMILESCCN1CCC2(C)c3cc(OC)ccc3CC12
InChIInChI=1S/C15H21NO/c1-4-16-8-7-15(2)13-10-12(17-3)6-5-11(13)9-14(15)16/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyWQOLYSZEKKVJJW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.60
Rot. Bonds2

About 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole

3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole (PubChem CID 14847293) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole.

Molecular Properties

Compound Name3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole
PubChem CID14847293
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole
SMILESCCN1CCC2(C)c3cc(OC)ccc3CC12
InChIInChI=1S/C15H21NO/c1-4-16-8-7-15(2)13-10-12(17-3)6-5-11(13)9-14(15)16/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyWQOLYSZEKKVJJW-UHFFFAOYSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole 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 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The IUPAC name of 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole (CID 14847293) is 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole.
What is the SMILES notation for 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The canonical SMILES for 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole is CCN1CCC2(C)c3cc(OC)ccc3CC12.
What is the InChIKey of 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole?
The InChIKey is WQOLYSZEKKVJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-16-8-7-15(2)13-10-12(17-3)6-5-11(13)9-14(15)16/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole?
3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole has a molecular weight of 231.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methoxy-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrole is sourced from PubChem (CID 14847293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).