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

C19H21N3O3 — CID 15380337

IUPAC[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate
SMILESCN1c2ccc(OC(=O)Nc3ccc(O)cc3)cc2[C@]2(C)CCNC12
InChIInChI=1S/C19H21N3O3/c1-19-9-10-20-17(19)22(2)16-8-7-14(11-15(16)19)25-18(24)21-12-3-5-13(23)6-4-12/h3-8,11,17,20,23H,9-10H2,1-2H3,(H,21,24)/t17?,19-/m0/s1
InChIKeyFWZNVSTZDWAYIK-NNBQYGFHSA-N
MW339.40 g/mol
LogP3.03
Rot. Bonds2

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

[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate (PubChem CID 15380337) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate
PubChem CID15380337
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate
SMILESCN1c2ccc(OC(=O)Nc3ccc(O)cc3)cc2[C@]2(C)CCNC12
InChIInChI=1S/C19H21N3O3/c1-19-9-10-20-17(19)22(2)16-8-7-14(11-15(16)19)25-18(24)21-12-3-5-13(23)6-4-12/h3-8,11,17,20,23H,9-10H2,1-2H3,(H,21,24)/t17?,19-/m0/s1
InChIKeyFWZNVSTZDWAYIK-NNBQYGFHSA-N
XLogP3.03
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(4-hydroxyphenyl)carbamate?
The IUPAC name of [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate (CID 15380337) is [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for [(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate is CN1c2ccc(OC(=O)Nc3ccc(O)cc3)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-(4-hydroxyphenyl)carbamate?
The InChIKey is FWZNVSTZDWAYIK-NNBQYGFHSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19-9-10-20-17(19)22(2)16-8-7-14(11-15(16)19)25-18(24)21-12-3-5-13(23)6-4-12/h3-8,11,17,20,23H,9-10H2,1-2H3,(H,21,24)/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-(4-hydroxyphenyl)carbamate?
[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate has a molecular weight of 339.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 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-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 15380337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).