spiro[cyclopentane-1,3'-indole]

C12H13N — CID 11607994

IUPACspiro[cyclopentane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCC2
InChIInChI=1S/C12H13N/c1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyKIKACLMQPSWCBX-UHFFFAOYSA-N
MW171.24 g/mol
LogP3.21
Rot. Bonds

About spiro[cyclopentane-1,3'-indole]

spiro[cyclopentane-1,3'-indole] (PubChem CID 11607994) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is spiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Namespiro[cyclopentane-1,3'-indole]
PubChem CID11607994
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Namespiro[cyclopentane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCC2
InChIInChI=1S/C12H13N/c1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyKIKACLMQPSWCBX-UHFFFAOYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of spiro[cyclopentane-1,3'-indole]?
The IUPAC name of spiro[cyclopentane-1,3'-indole] (CID 11607994) is spiro[cyclopentane-1,3'-indole].
What is the SMILES notation for spiro[cyclopentane-1,3'-indole]?
The canonical SMILES for spiro[cyclopentane-1,3'-indole] is C1=Nc2ccccc2C12CCCC2.
What is the InChIKey of spiro[cyclopentane-1,3'-indole]?
The InChIKey is KIKACLMQPSWCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N/c1-2-6-11-10(5-1)12(9-13-11)7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of spiro[cyclopentane-1,3'-indole]?
spiro[cyclopentane-1,3'-indole] has a molecular weight of 171.24 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 11607994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).