1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]

C15H20N+ — CID 22953136

IUPAC1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]
SMILESCC1=[N+](C)c2ccc(C)cc2C12CCCC2
InChIInChI=1S/C15H20N/c1-11-6-7-14-13(10-11)15(8-4-5-9-15)12(2)16(14)3/h6-7,10H,4-5,8-9H2,1-3H3/q+1
InChIKeyVAZPSFYYNFDIFS-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.56
Rot. Bonds

About 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]

1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium] (PubChem CID 22953136) has the molecular formula C15H20N+ and a molecular weight of 214.33 g/mol. Its IUPAC name is 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium].

Molecular Properties

Compound Name1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]
PubChem CID22953136
Molecular FormulaC15H20N+
Molecular Weight214.33 g/mol
Exact Mass214.16
IUPAC Name1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]
SMILESCC1=[N+](C)c2ccc(C)cc2C12CCCC2
InChIInChI=1S/C15H20N/c1-11-6-7-14-13(10-11)15(8-4-5-9-15)12(2)16(14)3/h6-7,10H,4-5,8-9H2,1-3H3/q+1
InChIKeyVAZPSFYYNFDIFS-UHFFFAOYSA-N
XLogP3.56
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]?
The IUPAC name of 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium] (CID 22953136) is 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium].
What is the SMILES notation for 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]?
The canonical SMILES for 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium] is CC1=[N+](C)c2ccc(C)cc2C12CCCC2.
What is the InChIKey of 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]?
The InChIKey is VAZPSFYYNFDIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N/c1-11-6-7-14-13(10-11)15(8-4-5-9-15)12(2)16(14)3/h6-7,10H,4-5,8-9H2,1-3H3/q+1.
What are the key properties of 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium]?
1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium] has a molecular weight of 214.33 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1',2',5'-trimethylspiro[cyclopentane-1,3'-indol-1-ium] is sourced from PubChem (CID 22953136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).