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

C10H12N2 — CID 166594785

IUPAC1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole
SMILESC1=CC2=C3NCCC3NC2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-4,8-9,11-12H,5-6H2
InChIKeyKCSGRMFDAOOCRA-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.70
Rot. Bonds

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

1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole (PubChem CID 166594785) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole.

Molecular Properties

Compound Name1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole
PubChem CID166594785
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole
SMILESC1=CC2=C3NCCC3NC2C=C1
InChIInChI=1S/C10H12N2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-4,8-9,11-12H,5-6H2
InChIKeyKCSGRMFDAOOCRA-UHFFFAOYSA-N
XLogP0.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole?
The IUPAC name of 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole (CID 166594785) is 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole.
What is the SMILES notation for 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole?
The canonical SMILES for 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole is C1=CC2=C3NCCC3NC2C=C1.
What is the InChIKey of 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole?
The InChIKey is KCSGRMFDAOOCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-8-7(3-1)10-9(12-8)5-6-11-10/h1-4,8-9,11-12H,5-6H2.
What are the key properties of 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole?
1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole has a molecular weight of 160.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,4a-hexahydropyrrolo[3,2-b]indole is sourced from PubChem (CID 166594785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).