(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]

C19H20ClN — CID 134958347

IUPAC(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C19H20ClN/c20-15-10-8-14(9-11-15)18-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-18/h2-3,6-11,18,21H,1,4-5,12-13H2/t18-/m0/s1
InChIKeyVSYDUXZUJPJSDY-SFHVURJKSA-N
MW297.83 g/mol
LogP5.71
Rot. Bonds1

About (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]

(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 134958347) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID134958347
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C19H20ClN/c20-15-10-8-14(9-11-15)18-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-18/h2-3,6-11,18,21H,1,4-5,12-13H2/t18-/m0/s1
InChIKeyVSYDUXZUJPJSDY-SFHVURJKSA-N
XLogP5.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.83
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 134958347) is (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] is Clc1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is VSYDUXZUJPJSDY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClN/c20-15-10-8-14(9-11-15)18-19(12-4-1-5-13-19)16-6-2-3-7-17(16)21-18/h2-3,6-11,18,21H,1,4-5,12-13H2/t18-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane]?
(2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 297.83 g/mol, XLogP of 5.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)spiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 134958347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).