1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole

C15H17N — CID 173177006

IUPAC1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1ccc2c3c([nH]c2c1)CCC3C1CCC1
InChIInChI=1S/C15H17N/c1-2-7-13-12(6-1)15-11(10-4-3-5-10)8-9-14(15)16-13/h1-2,6-7,10-11,16H,3-5,8-9H2
InChIKeyVCSIFJSEBACNFL-UHFFFAOYSA-N
MW211.31 g/mol
LogP4.00
Rot. Bonds1

About 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole

1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole (PubChem CID 173177006) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole.

Molecular Properties

Compound Name1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
PubChem CID173177006
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole
SMILESc1ccc2c3c([nH]c2c1)CCC3C1CCC1
InChIInChI=1S/C15H17N/c1-2-7-13-12(6-1)15-11(10-4-3-5-10)8-9-14(15)16-13/h1-2,6-7,10-11,16H,3-5,8-9H2
InChIKeyVCSIFJSEBACNFL-UHFFFAOYSA-N
XLogP4.00
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The IUPAC name of 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole (CID 173177006) is 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole.
What is the SMILES notation for 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The canonical SMILES for 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole is c1ccc2c3c([nH]c2c1)CCC3C1CCC1.
What is the InChIKey of 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
The InChIKey is VCSIFJSEBACNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-2-7-13-12(6-1)15-11(10-4-3-5-10)8-9-14(15)16-13/h1-2,6-7,10-11,16H,3-5,8-9H2.
What are the key properties of 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole?
1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole has a molecular weight of 211.31 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-1,2,3,4-tetrahydrocyclopenta[b]indole is sourced from PubChem (CID 173177006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).