(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]

C19H21N — CID 134958756

IUPAC(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESc1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C19H21N/c1-3-9-15(10-4-1)18-19(13-7-2-8-14-19)16-11-5-6-12-17(16)20-18/h1,3-6,9-12,18,20H,2,7-8,13-14H2/t18-/m0/s1
InChIKeyHOJHWVXYCZXHLH-SFHVURJKSA-N
MW263.38 g/mol
LogP5.06
Rot. Bonds1

About (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]

(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 134958756) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID134958756
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESc1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1
InChIInChI=1S/C19H21N/c1-3-9-15(10-4-1)18-19(13-7-2-8-14-19)16-11-5-6-12-17(16)20-18/h1,3-6,9-12,18,20H,2,7-8,13-14H2/t18-/m0/s1
InChIKeyHOJHWVXYCZXHLH-SFHVURJKSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 134958756) is (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is c1ccc([C@@H]2Nc3ccccc3C23CCCCC3)cc1.
What is the InChIKey of (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is HOJHWVXYCZXHLH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N/c1-3-9-15(10-4-1)18-19(13-7-2-8-14-19)16-11-5-6-12-17(16)20-18/h1,3-6,9-12,18,20H,2,7-8,13-14H2/t18-/m0/s1.
What are the key properties of (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
(2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 263.38 g/mol, XLogP of 5.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 134958756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).