1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole

C11H15N — CID 59469570

IUPAC1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole
SMILESC1=C2CC3CCNC3CC2=CC1
InChIInChI=1S/C11H15N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h2-3,10-12H,1,4-7H2
InChIKeyIXCFZVIVCXMZFX-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.01
Rot. Bonds

About 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole

1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole (PubChem CID 59469570) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole.

Molecular Properties

Compound Name1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole
PubChem CID59469570
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole
SMILESC1=C2CC3CCNC3CC2=CC1
InChIInChI=1S/C11H15N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h2-3,10-12H,1,4-7H2
InChIKeyIXCFZVIVCXMZFX-UHFFFAOYSA-N
XLogP2.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole?
The IUPAC name of 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole (CID 59469570) is 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole.
What is the SMILES notation for 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole?
The canonical SMILES for 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole is C1=C2CC3CCNC3CC2=CC1.
What is the InChIKey of 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole?
The InChIKey is IXCFZVIVCXMZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h2-3,10-12H,1,4-7H2.
What are the key properties of 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole?
1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole has a molecular weight of 161.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3a,4,6,8,8a-octahydrocyclopenta[f]indole is sourced from PubChem (CID 59469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).