1,2,3,3a-tetrahydrocyclopenta[b]indole

C11H11N — CID 66869719

IUPAC1,2,3,3a-tetrahydrocyclopenta[b]indole
SMILESc1ccc2c(c1)=NC1CCCC=21
InChIInChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,11H,3,5,7H2
InChIKeyIAZKTAKWBHQCGF-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.02
Rot. Bonds

About 1,2,3,3a-tetrahydrocyclopenta[b]indole

1,2,3,3a-tetrahydrocyclopenta[b]indole (PubChem CID 66869719) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,2,3,3a-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name1,2,3,3a-tetrahydrocyclopenta[b]indole
PubChem CID66869719
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,2,3,3a-tetrahydrocyclopenta[b]indole
SMILESc1ccc2c(c1)=NC1CCCC=21
InChIInChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,11H,3,5,7H2
InChIKeyIAZKTAKWBHQCGF-UHFFFAOYSA-N
XLogP1.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indole?
The IUPAC name of 1,2,3,3a-tetrahydrocyclopenta[b]indole (CID 66869719) is 1,2,3,3a-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 1,2,3,3a-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 1,2,3,3a-tetrahydrocyclopenta[b]indole is c1ccc2c(c1)=NC1CCCC=21.
What is the InChIKey of 1,2,3,3a-tetrahydrocyclopenta[b]indole?
The InChIKey is IAZKTAKWBHQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,11H,3,5,7H2.
What are the key properties of 1,2,3,3a-tetrahydrocyclopenta[b]indole?
1,2,3,3a-tetrahydrocyclopenta[b]indole has a molecular weight of 157.22 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 66869719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).