morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate

C18H26N4O3 — CID 70359937

IUPACmorpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate
SMILESCN1CC[C@@]2(C)c3cc(NC(=O)ON4CCOCC4)ccc3N(C)C12
InChIInChI=1S/C18H26N4O3/c1-18-6-7-20(2)16(18)21(3)15-5-4-13(12-14(15)18)19-17(23)25-22-8-10-24-11-9-22/h4-5,12,16H,6-11H2,1-3H3,(H,19,23)/t16?,18-/m0/s1
InChIKeyZIIJGTLXCLKUPI-DAFXYXGESA-N
MW346.43 g/mol
LogP1.85
Rot. Bonds2

About morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate

morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate (PubChem CID 70359937) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate.

Molecular Properties

Compound Namemorpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate
PubChem CID70359937
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Namemorpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate
SMILESCN1CC[C@@]2(C)c3cc(NC(=O)ON4CCOCC4)ccc3N(C)C12
InChIInChI=1S/C18H26N4O3/c1-18-6-7-20(2)16(18)21(3)15-5-4-13(12-14(15)18)19-17(23)25-22-8-10-24-11-9-22/h4-5,12,16H,6-11H2,1-3H3,(H,19,23)/t16?,18-/m0/s1
InChIKeyZIIJGTLXCLKUPI-DAFXYXGESA-N
XLogP1.85
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxalic acid;propyl N-[(3aS,8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate
CID 18642591
[(3aS,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamoyl N-cyclohexyl-N-methylcarbamate
CID 22841986
[(8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
CID 14107712
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(2,6-dimethylphenyl)carbamate
CID 14349781
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-phenylmethoxyphenyl)carbamate
CID 10503416
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-ethylcarbamate
CID 11392125
(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
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
[(8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 46235824
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] (3-methylphenyl) carbonate
CID 67795464
(7-chloro-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-methylcarbamate
CID 19692947

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate?
The IUPAC name of morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate (CID 70359937) is morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate.
What is the SMILES notation for morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate?
The canonical SMILES for morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate is CN1CC[C@@]2(C)c3cc(NC(=O)ON4CCOCC4)ccc3N(C)C12.
What is the InChIKey of morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate?
The InChIKey is ZIIJGTLXCLKUPI-DAFXYXGESA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18-6-7-20(2)16(18)21(3)15-5-4-13(12-14(15)18)19-17(23)25-22-8-10-24-11-9-22/h4-5,12,16H,6-11H2,1-3H3,(H,19,23)/t16?,18-/m0/s1.
What are the key properties of morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate?
morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl N-[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl]carbamate is sourced from PubChem (CID 70359937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).