1,4,5,6-tetrahydrocyclopenta[e]indole

C11H11N — CID 21423164

IUPAC1,4,5,6-tetrahydrocyclopenta[e]indole
SMILESC1=CC2=C(C1)CCC1=C2CC=N1
InChIInChI=1S/C11H11N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,7H,2,4-6H2
InChIKeyMEPFZMKXHHYPSX-UHFFFAOYSA-N
MW157.22 g/mol
LogP2.77
Rot. Bonds

About 1,4,5,6-tetrahydrocyclopenta[e]indole

1,4,5,6-tetrahydrocyclopenta[e]indole (PubChem CID 21423164) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[e]indole.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[e]indole
PubChem CID21423164
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1,4,5,6-tetrahydrocyclopenta[e]indole
SMILESC1=CC2=C(C1)CCC1=C2CC=N1
InChIInChI=1S/C11H11N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,7H,2,4-6H2
InChIKeyMEPFZMKXHHYPSX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[e]indole?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[e]indole (CID 21423164) is 1,4,5,6-tetrahydrocyclopenta[e]indole.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[e]indole?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[e]indole is C1=CC2=C(C1)CCC1=C2CC=N1.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[e]indole?
The InChIKey is MEPFZMKXHHYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-8-4-5-11-10(6-7-12-11)9(8)3-1/h1,3,7H,2,4-6H2.
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[e]indole?
1,4,5,6-tetrahydrocyclopenta[e]indole has a molecular weight of 157.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[e]indole is sourced from PubChem (CID 21423164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).