[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

C18H19N3O2 — CID 11722860

IUPAC[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
SMILESC[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc12
InChIInChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m0/s1
InChIKeyZTNAPMRRYAYAIK-DAFXYXGESA-N
MW309.37 g/mol
LogP3.30
Rot. Bonds2

About [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate (PubChem CID 11722860) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
PubChem CID11722860
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
SMILESC[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc12
InChIInChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m0/s1
InChIKeyZTNAPMRRYAYAIK-DAFXYXGESA-N
XLogP3.30
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate 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-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The IUPAC name of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate (CID 11722860) is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate.
What is the SMILES notation for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The canonical SMILES for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate is C[C@@]12CCNC1Nc1ccc(OC(=O)Nc3ccccc3)cc12.
What is the InChIKey of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The InChIKey is ZTNAPMRRYAYAIK-DAFXYXGESA-N. The full InChI is InChI=1S/C18H19N3O2/c1-18-9-10-19-16(18)21-15-8-7-13(11-14(15)18)23-17(22)20-12-5-3-2-4-6-12/h2-8,11,16,19,21H,9-10H2,1H3,(H,20,22)/t16?,18-/m0/s1.
What are the key properties of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate has a molecular weight of 309.37 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate is sourced from PubChem (CID 11722860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).