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

C13H17N3O2 — CID 11776726

IUPAC[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2
InChIInChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m0/s1
InChIKeyJZTYZCGIRWVERO-YUZLPWPTSA-N
MW247.30 g/mol
LogP1.41
Rot. Bonds1

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

[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (PubChem CID 11776726) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
PubChem CID11776726
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2
InChIInChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/m0/s1
InChIKeyJZTYZCGIRWVERO-YUZLPWPTSA-N
XLogP1.41
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-methylcarbamate?
The IUPAC name of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (CID 11776726) is [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.
What is the SMILES notation for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The canonical SMILES for [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCNC1N2.
What is the InChIKey of [(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The InChIKey is JZTYZCGIRWVERO-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13-5-6-15-11(13)16-10-4-3-8(7-9(10)13)18-12(17)14-2/h3-4,7,11,15-16H,5-6H2,1-2H3,(H,14,17)/t11?,13-/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-methylcarbamate?
[(8bS)-8b-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate has a molecular weight of 247.30 g/mol, XLogP of 1.41, 1 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-methylcarbamate is sourced from PubChem (CID 11776726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).