(2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]

C19H20ClN — CID 134957836

IUPAC(2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2
InChIInChI=1S/C19H20ClN/c20-15-9-10-17-16(13-15)19(11-5-2-6-12-19)18(21-17)14-7-3-1-4-8-14/h1,3-4,7-10,13,18,21H,2,5-6,11-12H2/t18-/m0/s1
InChIKeyHKSRFWADPNEJIX-SFHVURJKSA-N
MW297.83 g/mol
LogP5.71
Rot. Bonds1

About (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]

(2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 134957836) has the molecular formula C19H20ClN and a molecular weight of 297.83 g/mol. Its IUPAC name is (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name(2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID134957836
Molecular FormulaC19H20ClN
Molecular Weight297.83 g/mol
Exact Mass297.13
IUPAC Name(2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESClc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2
InChIInChI=1S/C19H20ClN/c20-15-9-10-17-16(13-15)19(11-5-2-6-12-19)18(21-17)14-7-3-1-4-8-14/h1,3-4,7-10,13,18,21H,2,5-6,11-12H2/t18-/m0/s1
InChIKeyHKSRFWADPNEJIX-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)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 134957836) is (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is Clc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2.
What is the InChIKey of (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is HKSRFWADPNEJIX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClN/c20-15-9-10-17-16(13-15)19(11-5-2-6-12-19)18(21-17)14-7-3-1-4-8-14/h1,3-4,7-10,13,18,21H,2,5-6,11-12H2/t18-/m0/s1.
What are the key properties of (2S)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
(2S)-5-chloro-2-phenylspiro[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)-5-chloro-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 134957836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).