2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole

C15H23N — CID 173178556

IUPAC2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
SMILESc1c(C2CCCCCC2)[nH]c2c1CCCC2
InChIInChI=1S/C15H23N/c1-2-4-8-12(7-3-1)15-11-13-9-5-6-10-14(13)16-15/h11-12,16H,1-10H2
InChIKeyFCWHIKDCBBMWMG-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.33
Rot. Bonds1

About 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole

2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole (PubChem CID 173178556) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole.

Molecular Properties

Compound Name2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
PubChem CID173178556
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole
SMILESc1c(C2CCCCCC2)[nH]c2c1CCCC2
InChIInChI=1S/C15H23N/c1-2-4-8-12(7-3-1)15-11-13-9-5-6-10-14(13)16-15/h11-12,16H,1-10H2
InChIKeyFCWHIKDCBBMWMG-UHFFFAOYSA-N
XLogP4.33
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole?
The IUPAC name of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole (CID 173178556) is 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole.
What is the SMILES notation for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole?
The canonical SMILES for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole is c1c(C2CCCCCC2)[nH]c2c1CCCC2.
What is the InChIKey of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole?
The InChIKey is FCWHIKDCBBMWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-4-8-12(7-3-1)15-11-13-9-5-6-10-14(13)16-15/h11-12,16H,1-10H2.
What are the key properties of 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole?
2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole has a molecular weight of 217.36 g/mol, XLogP of 4.33, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,5,6,7-tetrahydro-1H-indole is sourced from PubChem (CID 173178556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).