1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole

C11H13N — CID 70115040

IUPAC1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole
SMILESC1=CC2CC3CCNC3=CC2=C1
InChIInChI=1S/C11H13N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h1-3,7-8,10,12H,4-6H2
InChIKeyNRBCATNSMFKFOK-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.00
Rot. Bonds

About 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole

1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole (PubChem CID 70115040) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole.

Molecular Properties

Compound Name1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole
PubChem CID70115040
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole
SMILESC1=CC2CC3CCNC3=CC2=C1
InChIInChI=1S/C11H13N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h1-3,7-8,10,12H,4-6H2
InChIKeyNRBCATNSMFKFOK-UHFFFAOYSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.00
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,4,4a-hexahydrocyclopenta[f]indole?
The IUPAC name of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole (CID 70115040) is 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole.
What is the SMILES notation for 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole?
The canonical SMILES for 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole is C1=CC2CC3CCNC3=CC2=C1.
What is the InChIKey of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole?
The InChIKey is NRBCATNSMFKFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-8-6-10-4-5-12-11(10)7-9(8)3-1/h1-3,7-8,10,12H,4-6H2.
What are the key properties of 1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole?
1,2,3,3a,4,4a-hexahydrocyclopenta[f]indole has a molecular weight of 159.23 g/mol, XLogP of 2.00, 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,4,4a-hexahydrocyclopenta[f]indole is sourced from PubChem (CID 70115040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).