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

C22H27N3O2 — CID 10690207

IUPAC[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)C2N3)cc1
InChIInChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)23-21(26)27-17-9-10-19-18(13-17)22(3)11-12-25(4)20(22)24-19/h5-10,13-14,20,24H,11-12H2,1-4H3,(H,23,26)/t20?,22-/m0/s1
InChIKeyWZMBVGKJFPMNGN-IAXKEJLGSA-N
MW365.48 g/mol
LogP4.77
Rot. Bonds3

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

[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate (PubChem CID 10690207) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
PubChem CID10690207
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)C2N3)cc1
InChIInChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)23-21(26)27-17-9-10-19-18(13-17)22(3)11-12-25(4)20(22)24-19/h5-10,13-14,20,24H,11-12H2,1-4H3,(H,23,26)/t20?,22-/m0/s1
InChIKeyWZMBVGKJFPMNGN-IAXKEJLGSA-N
XLogP4.77
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Physostigmine
CID 5983
(-)-Phenserine
CID 192706
Eptastigmine
CID 65872
Ganstigmine
CID 9823294
Quilostigmine
CID 132228
(3,4,8B-Trimethyl-2,3A-Dihydro-1H-Pyrrolo(2,3-B)Indol-7-Yl) N-Methylcarbamate
CID 4811
N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester
CID 11403114
Buntanetap
CID 11249342
Physostigmine Sulfate
CID 6419928
(-)-N1,N8-bisbenzylnorphysostigmine
CID 10764956
(-)-N1,N8-bisnorphenserine
CID 11722860
N1,N8-Bisnorcymserine
CID 10360601

Frequently Asked Questions

What is the IUPAC name of [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate (CID 10690207) is [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)C2N3)cc1.
What is the InChIKey of [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is WZMBVGKJFPMNGN-IAXKEJLGSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)23-21(26)27-17-9-10-19-18(13-17)22(3)11-12-25(4)20(22)24-19/h5-10,13-14,20,24H,11-12H2,1-4H3,(H,23,26)/t20?,22-/m0/s1.
What are the key properties of [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate?
[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 365.48 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 10690207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).