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

C14H19N3O2 — CID 1403297

IUPAC[(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(C)[C@@H]1N2C
InChIInChI=1S/C14H19N3O2/c1-15-14(18)19-9-4-5-12-11(8-9)10-6-7-16(2)13(10)17(12)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,15,18)/t10-,13+/m0/s1
InChIKeyKFIIABIGRKUSOL-GXFFZTMASA-N
MW261.32 g/mol
LogP1.60
Rot. Bonds1

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

[(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (PubChem CID 1403297) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
PubChem CID1403297
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(C)[C@@H]1N2C
InChIInChI=1S/C14H19N3O2/c1-15-14(18)19-9-4-5-12-11(8-9)10-6-7-16(2)13(10)17(12)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,15,18)/t10-,13+/m0/s1
InChIKeyKFIIABIGRKUSOL-GXFFZTMASA-N
XLogP1.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl) 3-methylbutanoate
CID 58575699
[(3aS,8bS)-3,4-dimethyl-2,3,3a,8b-tetrahydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
CID 11911473
[(8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
CID 14107712
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl) N-methylcarbamate;dihydroxy(oxo)silane
CID 69274759
bis([(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate);sulfate
CID 23616196
methyl 7-(methoxycarbonylamino)-4-methyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3-carboxylate
CID 19908928
[3-(iodoamino)-2,3-dihydro-1H-inden-5-yl] N-methylcarbamate
CID 87814354
[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
CID 3084319
[4-(2,5-dimethylpyrrol-1-yl)-3-methylphenyl] N-methylcarbamate
CID 134111730
[(3R,3aS,8bS)-3,4,8b-trimethyl-3-oxido-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-ium-7-yl] N-methylcarbamate
CID 15559176
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-ethylcarbamate
CID 11392125

Frequently Asked Questions

What is the IUPAC name of [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The IUPAC name of [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate (CID 1403297) is [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate.
What is the SMILES notation for [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The canonical SMILES for [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate is CNC(=O)Oc1ccc2c(c1)[C@@H]1CCN(C)[C@@H]1N2C.
What is the InChIKey of [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
The InChIKey is KFIIABIGRKUSOL-GXFFZTMASA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15-14(18)19-9-4-5-12-11(8-9)10-6-7-16(2)13(10)17(12)3/h4-5,8,10,13H,6-7H2,1-3H3,(H,15,18)/t10-,13+/m0/s1.
What are the key properties of [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate?
[(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate has a molecular weight of 261.32 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,8bS)-3,4-dimethyl-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate is sourced from PubChem (CID 1403297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).