1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole

C10H12N2 — CID 91219672

IUPAC1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole
SMILESC1=CC2NC3N=CCC3C2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,6-10,12H,5H2
InChIKeyHDFZGGZJJOUKQV-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.12
Rot. Bonds

About 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole

1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole (PubChem CID 91219672) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole.

Molecular Properties

Compound Name1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole
PubChem CID91219672
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole
SMILESC1=CC2NC3N=CCC3C2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,6-10,12H,5H2
InChIKeyHDFZGGZJJOUKQV-UHFFFAOYSA-N
XLogP1.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3a,4,4a,7,8,8a,8b-Octahydropyrrolo[2,3-b]indole
CID 53939457
4,4a,4b,8a,9,9a-hexahydro-1H-pyrido[3,4-b]indole
CID 20431557
5,5a,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 22340385
4,4a,5,5a,9a,9b-hexahydro-1H-pyrido[4,3-b]indole
CID 54388499
1,5a,6,6a,10a,10b-Hexahydroazepino[4,5-b]indole
CID 66641491
5,9,9a,9b-tetrahydro-4aH-pyrido[4,3-b]indole
CID 67322252
4b,8a,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 69807343
4b,5,6,8a,9,9a-hexahydro-4aH-pyrimido[4,5-b]indole
CID 70598780
1,5a,6,6a,10a,10b-Hexahydroazepino[4,3-b]indole
CID 91312063
1-(3a,7a-dihydro-3H-indol-3-yl)-N-methylmethanamine
CID 91550208
3-bromo-4b,8a,9,9a-tetrahydro-4aH-pyrido[2,3-b]indole
CID 123153834
3,9-Diazatricyclo[6.4.0.02,6]dodeca-1,9,11-triene
CID 140094401

Frequently Asked Questions

What is the IUPAC name of 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole?
The IUPAC name of 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole (CID 91219672) is 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole.
What is the SMILES notation for 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole?
The canonical SMILES for 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole is C1=CC2NC3N=CCC3C2C=C1.
What is the InChIKey of 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole?
The InChIKey is HDFZGGZJJOUKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-9-7(3-1)8-5-6-11-10(8)12-9/h1-4,6-10,12H,5H2.
What are the key properties of 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole?
1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole has a molecular weight of 160.22 g/mol, XLogP of 1.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3a,4,4a,8a,8b-hexahydropyrrolo[2,3-b]indole is sourced from PubChem (CID 91219672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).