[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate

C21H24N2O2 — CID 24839460

IUPAC[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
SMILESCCN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3C[C@H]12
InChIInChI=1S/C21H24N2O2/c1-3-23-12-11-21(2)18-14-17(10-9-15(18)13-19(21)23)25-20(24)22-16-7-5-4-6-8-16/h4-10,14,19H,3,11-13H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
InChIKeyTXJSVDRPBGRIFY-PZJWPPBQSA-N
MW336.44 g/mol
LogP4.21
Rot. Bonds3

About [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate

[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate (PubChem CID 24839460) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
PubChem CID24839460
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate
SMILESCCN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3C[C@H]12
InChIInChI=1S/C21H24N2O2/c1-3-23-12-11-21(2)18-14-17(10-9-15(18)13-19(21)23)25-20(24)22-16-7-5-4-6-8-16/h4-10,14,19H,3,11-13H2,1-2H3,(H,22,24)/t19-,21+/m0/s1
InChIKeyTXJSVDRPBGRIFY-PZJWPPBQSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-propylcarbamate
CID 24836315
(3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl) N-tert-butylcarbamate
CID 15751387
[(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-heptylcarbamate
CID 15751376
[(8bR)-3-benzyl-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10024747
[(8bS)-3,8b-dimethyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10245631
[(8bS)-3-benzyl-8b-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
CID 11953524
[(3aR,8bS)-3-(2,2-diphenylethyl)-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
CID 46880287
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-phenylmethoxyphenyl)carbamate
CID 10503416
[(3aR,8bS)-4,8b-dimethyl-3-(2-phenylethyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-hexoxyphenyl)carbamate
CID 46880681
tert-butyl 3-benzyl-7-[(4-but-3-en-2-ylphenyl)carbamoyloxy]-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-4-carboxylate
CID 123307839
[(3aR,8bR)-3,4-dimethyl-8b-prop-2-enyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 70688507
[(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-yl] N-phenylcarbamate;hydrochloride
CID 68576670

Frequently Asked Questions

What is the IUPAC name of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate?
The IUPAC name of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate (CID 24839460) is [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate.
What is the SMILES notation for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate?
The canonical SMILES for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate is CCN1CC[C@]2(C)c3cc(OC(=O)Nc4ccccc4)ccc3C[C@H]12.
What is the InChIKey of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate?
The InChIKey is TXJSVDRPBGRIFY-PZJWPPBQSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-23-12-11-21(2)18-14-17(10-9-15(18)13-19(21)23)25-20(24)22-16-7-5-4-6-8-16/h4-10,14,19H,3,11-13H2,1-2H3,(H,22,24)/t19-,21+/m0/s1.
What are the key properties of [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate?
[(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate has a molecular weight of 336.44 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,8bR)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-phenylcarbamate is sourced from PubChem (CID 24839460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).