[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

C19H21N3O2 — CID 11461464

IUPAC[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
SMILESCN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CCNC12
InChIInChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23)/t17?,19-/m0/s1
InChIKeyITTCFQIHBIBVEN-NNBQYGFHSA-N
MW323.40 g/mol
LogP3.32
Rot. Bonds2

About [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate (PubChem CID 11461464) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
PubChem CID11461464
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
SMILESCN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CCNC12
InChIInChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23)/t17?,19-/m0/s1
InChIKeyITTCFQIHBIBVEN-NNBQYGFHSA-N
XLogP3.32
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The IUPAC name of [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate (CID 11461464) is [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate.
What is the SMILES notation for [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The canonical SMILES for [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate is CN1c2ccc(OC(=O)Nc3ccccc3)cc2[C@]2(C)CCNC12.
What is the InChIKey of [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
The InChIKey is ITTCFQIHBIBVEN-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19-10-11-20-17(19)22(2)16-9-8-14(12-15(16)19)24-18(23)21-13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,21,23)/t17?,19-/m0/s1.
What are the key properties of [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate?
[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate has a molecular weight of 323.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate is sourced from PubChem (CID 11461464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).