5a,6,7,8-tetrahydropyrrolo[3,2-e]indole

C10H10N2 — CID 142665421

IUPAC5a,6,7,8-tetrahydropyrrolo[3,2-e]indole
SMILESC1=CC2=C3CCNC3C=CC2=N1
InChIInChI=1S/C10H10N2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-3,5,10,12H,4,6H2
InChIKeyAEBISRFPFHRHOG-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.18
Rot. Bonds

About 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole

5a,6,7,8-tetrahydropyrrolo[3,2-e]indole (PubChem CID 142665421) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole.

Molecular Properties

Compound Name5a,6,7,8-tetrahydropyrrolo[3,2-e]indole
PubChem CID142665421
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name5a,6,7,8-tetrahydropyrrolo[3,2-e]indole
SMILESC1=CC2=C3CCNC3C=CC2=N1
InChIInChI=1S/C10H10N2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-3,5,10,12H,4,6H2
InChIKeyAEBISRFPFHRHOG-UHFFFAOYSA-N
XLogP1.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole?
The IUPAC name of 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole (CID 142665421) is 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole.
What is the SMILES notation for 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole?
The canonical SMILES for 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole is C1=CC2=C3CCNC3C=CC2=N1.
What is the InChIKey of 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole?
The InChIKey is AEBISRFPFHRHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-10-8(4-6-12-10)7-3-5-11-9(1)7/h1-3,5,10,12H,4,6H2.
What are the key properties of 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole?
5a,6,7,8-tetrahydropyrrolo[3,2-e]indole has a molecular weight of 158.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5a,6,7,8-tetrahydropyrrolo[3,2-e]indole is sourced from PubChem (CID 142665421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).