(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate

C21H25N3O2 — CID 19692973

IUPAC(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate
SMILESCN1CCC2(C)c3ccc(OC(=O)NCc4ccccc4)cc3N(C)C12
InChIInChI=1S/C21H25N3O2/c1-21-11-12-23(2)19(21)24(3)18-13-16(9-10-17(18)21)26-20(25)22-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyZFKQMNIZOTVEKT-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.34
Rot. Bonds3

About (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate

(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate (PubChem CID 19692973) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate.

Molecular Properties

Compound Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate
PubChem CID19692973
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate
SMILESCN1CCC2(C)c3ccc(OC(=O)NCc4ccccc4)cc3N(C)C12
InChIInChI=1S/C21H25N3O2/c1-21-11-12-23(2)19(21)24(3)18-13-16(9-10-17(18)21)26-20(25)22-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25)
InChIKeyZFKQMNIZOTVEKT-UHFFFAOYSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate?
The IUPAC name of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate (CID 19692973) is (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate.
What is the SMILES notation for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate?
The canonical SMILES for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate is CN1CCC2(C)c3ccc(OC(=O)NCc4ccccc4)cc3N(C)C12.
What is the InChIKey of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate?
The InChIKey is ZFKQMNIZOTVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-21-11-12-23(2)19(21)24(3)18-13-16(9-10-17(18)21)26-20(25)22-14-15-7-5-4-6-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,22,25).
What are the key properties of (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate?
(3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate has a molecular weight of 351.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-6-yl) N-benzylcarbamate is sourced from PubChem (CID 19692973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).