[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid

C19H21N3O2 — CID 118599412

IUPAC[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid
SMILESCN1CC[C@]2(C)c3cc(N(C(=O)O)c4ccccc4)ccc3NC12
InChIInChI=1S/C19H21N3O2/c1-19-10-11-21(2)17(19)20-16-9-8-14(12-15(16)19)22(18(23)24)13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,23,24)/t17?,19-/m1/s1
InChIKeyNOPUSTFWTRTMJE-WHCXFUJUSA-N
MW323.40 g/mol
LogP3.85
Rot. Bonds2

About [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid

[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid (PubChem CID 118599412) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid.

Molecular Properties

Compound Name[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid
PubChem CID118599412
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid
SMILESCN1CC[C@]2(C)c3cc(N(C(=O)O)c4ccccc4)ccc3NC12
InChIInChI=1S/C19H21N3O2/c1-19-10-11-21(2)17(19)20-16-9-8-14(12-15(16)19)22(18(23)24)13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,23,24)/t17?,19-/m1/s1
InChIKeyNOPUSTFWTRTMJE-WHCXFUJUSA-N
XLogP3.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid?
The IUPAC name of [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid (CID 118599412) is [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid.
What is the SMILES notation for [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid?
The canonical SMILES for [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid is CN1CC[C@]2(C)c3cc(N(C(=O)O)c4ccccc4)ccc3NC12.
What is the InChIKey of [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid?
The InChIKey is NOPUSTFWTRTMJE-WHCXFUJUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-19-10-11-21(2)17(19)20-16-9-8-14(12-15(16)19)22(18(23)24)13-6-4-3-5-7-13/h3-9,12,17,20H,10-11H2,1-2H3,(H,23,24)/t17?,19-/m1/s1.
What are the key properties of [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid?
[(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid has a molecular weight of 323.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bR)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl]-phenylcarbamic acid is sourced from PubChem (CID 118599412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).