3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole

C18H21N3 — CID 162787739

IUPAC3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole
SMILESC1=CC2=NC=CC2(C2CNC3=C4CCNC4CCC32)C=C1
InChIInChI=1S/C18H21N3/c1-2-7-18(8-10-20-16(18)3-1)14-11-21-17-12(14)4-5-15-13(17)6-9-19-15/h1-3,7-8,10,12,14-15,19,21H,4-6,9,11H2
InChIKeyRUUJJHFGZASPFC-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.31
Rot. Bonds1

About 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole

3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole (PubChem CID 162787739) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole.

Molecular Properties

Compound Name3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole
PubChem CID162787739
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole
SMILESC1=CC2=NC=CC2(C2CNC3=C4CCNC4CCC32)C=C1
InChIInChI=1S/C18H21N3/c1-2-7-18(8-10-20-16(18)3-1)14-11-21-17-12(14)4-5-15-13(17)6-9-19-15/h1-3,7-8,10,12,14-15,19,21H,4-6,9,11H2
InChIKeyRUUJJHFGZASPFC-UHFFFAOYSA-N
XLogP2.31
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole?
The IUPAC name of 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole (CID 162787739) is 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole.
What is the SMILES notation for 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole?
The canonical SMILES for 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole is C1=CC2=NC=CC2(C2CNC3=C4CCNC4CCC32)C=C1.
What is the InChIKey of 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole?
The InChIKey is RUUJJHFGZASPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-7-18(8-10-20-16(18)3-1)14-11-21-17-12(14)4-5-15-13(17)6-9-19-15/h1-3,7-8,10,12,14-15,19,21H,4-6,9,11H2.
What are the key properties of 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole?
3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole has a molecular weight of 279.39 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-3a-yl-1,2,3,3a,4,5,5a,6,7,8-decahydropyrrolo[2,3-e]indole is sourced from PubChem (CID 162787739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).