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

C22H27N3O2 — CID 609285

IUPAC(4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C2(C)CCNC2N3C)cc1
InChIInChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)24-21(26)27-17-9-10-19-18(13-17)22(3)11-12-23-20(22)25(19)4/h5-10,13-14,20,23H,11-12H2,1-4H3,(H,24,26)
InChIKeyROYFCSCGFOUJGP-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.45
Rot. Bonds3

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

(4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate (PubChem CID 609285) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate
PubChem CID609285
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C2(C)CCNC2N3C)cc1
InChIInChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)24-21(26)27-17-9-10-19-18(13-17)22(3)11-12-23-20(22)25(19)4/h5-10,13-14,20,23H,11-12H2,1-4H3,(H,24,26)
InChIKeyROYFCSCGFOUJGP-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-hydroxyphenyl)carbamate
CID 15380337
8b-methyl-7-[(4-propan-2-ylphenyl)carbamoyloxy]-1,2,3,3a-tetrahydropyrrolo[2,3-b]indole-4-carboxylic acid
CID 123918770
[(8bS)-4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
CID 3084319
[(8bR)-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
CID 23645295
[(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
[(8bS)-3-benzyl-8b-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(4-propan-2-ylphenyl)carbamate
CID 11953524
[(8bS)-4-benzyl-8b-methyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl] N-(3,4-dimethoxyphenyl)carbamate
CID 46234128
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(4-phenylmethoxyphenyl)carbamate
CID 10503416
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] N-(4-propan-2-ylphenyl)carbamate
CID 138672261
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(3-cyanophenyl)carbamate
CID 46880535
[(8bR)-3-benzyl-4,8b-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate
CID 10024747
[(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-(2,6-dimethylphenyl)carbamate
CID 14349781

Frequently Asked Questions

What is the IUPAC name of (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate (CID 609285) is (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C2(C)CCNC2N3C)cc1.
What is the InChIKey of (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is ROYFCSCGFOUJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-14(2)15-5-7-16(8-6-15)24-21(26)27-17-9-10-19-18(13-17)22(3)11-12-23-20(22)25(19)4/h5-10,13-14,20,23H,11-12H2,1-4H3,(H,24,26).
What are the key properties of (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate?
(4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 365.48 g/mol, XLogP of 4.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8b-dimethyl-1,2,3,3a-tetrahydropyrrolo[2,3-b]indol-7-yl) N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 609285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).