[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate

C23H27NO2 — CID 148566346

IUPAC[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate
SMILESCC(C)c1ccc(CC(=O)Oc2ccc3c(c2)[C@]2(C)CCCC2N3)cc1
InChIInChI=1S/C23H27NO2/c1-15(2)17-8-6-16(7-9-17)13-22(25)26-18-10-11-20-19(14-18)23(3)12-4-5-21(23)24-20/h6-11,14-15,21,24H,4-5,12-13H2,1-3H3/t21?,23-/m0/s1
InChIKeyMVZQCDDHMQOUEL-YANBTOMASA-N
MW349.47 g/mol
LogP5.19
Rot. Bonds4

About [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate

[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate (PubChem CID 148566346) has the molecular formula C23H27NO2 and a molecular weight of 349.47 g/mol. Its IUPAC name is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate
PubChem CID148566346
Molecular FormulaC23H27NO2
Molecular Weight349.47 g/mol
Exact Mass349.20
IUPAC Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate
SMILESCC(C)c1ccc(CC(=O)Oc2ccc3c(c2)[C@]2(C)CCCC2N3)cc1
InChIInChI=1S/C23H27NO2/c1-15(2)17-8-6-16(7-9-17)13-22(25)26-18-10-11-20-19(14-18)23(3)12-4-5-21(23)24-20/h6-11,14-15,21,24H,4-5,12-13H2,1-3H3/t21?,23-/m0/s1
InChIKeyMVZQCDDHMQOUEL-YANBTOMASA-N
XLogP5.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.47
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate 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 [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate (CID 148566346) is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate is CC(C)c1ccc(CC(=O)Oc2ccc3c(c2)[C@]2(C)CCCC2N3)cc1.
What is the InChIKey of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate?
The InChIKey is MVZQCDDHMQOUEL-YANBTOMASA-N. The full InChI is InChI=1S/C23H27NO2/c1-15(2)17-8-6-16(7-9-17)13-22(25)26-18-10-11-20-19(14-18)23(3)12-4-5-21(23)24-20/h6-11,14-15,21,24H,4-5,12-13H2,1-3H3/t21?,23-/m0/s1.
What are the key properties of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate?
[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate has a molecular weight of 349.47 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-cyclopenta[b]indol-7-yl] 2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 148566346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).