2-phenylspiro[cyclopentane-1,3'-indole]

C18H17N — CID 78152438

IUPAC2-phenylspiro[cyclopentane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCC2c1ccccc1
InChIInChI=1S/C18H17N/c1-2-7-14(8-3-1)15-10-6-12-18(15)13-19-17-11-5-4-9-16(17)18/h1-5,7-9,11,13,15H,6,10,12H2
InChIKeyVFCHDJCFJPWARI-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.61
Rot. Bonds1

About 2-phenylspiro[cyclopentane-1,3'-indole]

2-phenylspiro[cyclopentane-1,3'-indole] (PubChem CID 78152438) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-phenylspiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Name2-phenylspiro[cyclopentane-1,3'-indole]
PubChem CID78152438
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-phenylspiro[cyclopentane-1,3'-indole]
SMILESC1=Nc2ccccc2C12CCCC2c1ccccc1
InChIInChI=1S/C18H17N/c1-2-7-14(8-3-1)15-10-6-12-18(15)13-19-17-11-5-4-9-16(17)18/h1-5,7-9,11,13,15H,6,10,12H2
InChIKeyVFCHDJCFJPWARI-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenylspiro[cyclopentane-1,3'-indole]?
The IUPAC name of 2-phenylspiro[cyclopentane-1,3'-indole] (CID 78152438) is 2-phenylspiro[cyclopentane-1,3'-indole].
What is the SMILES notation for 2-phenylspiro[cyclopentane-1,3'-indole]?
The canonical SMILES for 2-phenylspiro[cyclopentane-1,3'-indole] is C1=Nc2ccccc2C12CCCC2c1ccccc1.
What is the InChIKey of 2-phenylspiro[cyclopentane-1,3'-indole]?
The InChIKey is VFCHDJCFJPWARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-2-7-14(8-3-1)15-10-6-12-18(15)13-19-17-11-5-4-9-16(17)18/h1-5,7-9,11,13,15H,6,10,12H2.
What are the key properties of 2-phenylspiro[cyclopentane-1,3'-indole]?
2-phenylspiro[cyclopentane-1,3'-indole] has a molecular weight of 247.34 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylspiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 78152438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).