(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]

C18H19N — CID 102050399

IUPAC(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]
SMILESc1ccc([C@H]2Nc3ccccc3C23CCCC3)cc1
InChIInChI=1S/C18H19N/c1-2-8-14(9-3-1)17-18(12-6-7-13-18)15-10-4-5-11-16(15)19-17/h1-5,8-11,17,19H,6-7,12-13H2/t17-/m1/s1
InChIKeyDXDLIJVJEPUXSZ-QGZVFWFLSA-N
MW249.36 g/mol
LogP4.67
Rot. Bonds1

About (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]

(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane] (PubChem CID 102050399) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane].

Molecular Properties

Compound Name(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]
PubChem CID102050399
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]
SMILESc1ccc([C@H]2Nc3ccccc3C23CCCC3)cc1
InChIInChI=1S/C18H19N/c1-2-8-14(9-3-1)17-18(12-6-7-13-18)15-10-4-5-11-16(15)19-17/h1-5,8-11,17,19H,6-7,12-13H2/t17-/m1/s1
InChIKeyDXDLIJVJEPUXSZ-QGZVFWFLSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]?
The IUPAC name of (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane] (CID 102050399) is (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane].
What is the SMILES notation for (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]?
The canonical SMILES for (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane] is c1ccc([C@H]2Nc3ccccc3C23CCCC3)cc1.
What is the InChIKey of (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]?
The InChIKey is DXDLIJVJEPUXSZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N/c1-2-8-14(9-3-1)17-18(12-6-7-13-18)15-10-4-5-11-16(15)19-17/h1-5,8-11,17,19H,6-7,12-13H2/t17-/m1/s1.
What are the key properties of (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane]?
(2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane] has a molecular weight of 249.36 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclopentane] is sourced from PubChem (CID 102050399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).