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

C20H23N — CID 134957835

IUPAC(2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23N/c1-15-10-11-18-17(14-15)20(12-6-3-7-13-20)19(21-18)16-8-4-2-5-9-16/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3/t19-/m0/s1
InChIKeyHFKTUIHRRABZPD-IBGZPJMESA-N
MW277.41 g/mol
LogP5.36
Rot. Bonds1

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

(2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (PubChem CID 134957835) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].

Molecular Properties

Compound Name(2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
PubChem CID134957835
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]
SMILESCc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2
InChIInChI=1S/C20H23N/c1-15-10-11-18-17(14-15)20(12-6-3-7-13-20)19(21-18)16-8-4-2-5-9-16/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3/t19-/m0/s1
InChIKeyHFKTUIHRRABZPD-IBGZPJMESA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The IUPAC name of (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] (CID 134957835) is (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane].
What is the SMILES notation for (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The canonical SMILES for (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is Cc1ccc2c(c1)C1(CCCCC1)[C@H](c1ccccc1)N2.
What is the InChIKey of (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
The InChIKey is HFKTUIHRRABZPD-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N/c1-15-10-11-18-17(14-15)20(12-6-3-7-13-20)19(21-18)16-8-4-2-5-9-16/h2,4-5,8-11,14,19,21H,3,6-7,12-13H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane]?
(2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] has a molecular weight of 277.41 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-phenylspiro[1,2-dihydroindole-3,1'-cyclohexane] is sourced from PubChem (CID 134957835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).