trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol

C15H16N2O — CID 129282617

IUPACtrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O/c18-14-7-3-6-12(14)15-11-5-2-1-4-10(11)13-8-16-9-17(13)15/h1-2,4-5,8-9,12,14-15,18H,3,6-7H2/t12-,14-,15-/m1/s1
InChIKeyJZFRUJKBCCFSEU-BPLDGKMQSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds1

About trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol

trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol (PubChem CID 129282617) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol
PubChem CID129282617
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Nametrans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O/c18-14-7-3-6-12(14)15-11-5-2-1-4-10(11)13-8-16-9-17(13)15/h1-2,4-5,8-9,12,14-15,18H,3,6-7H2/t12-,14-,15-/m1/s1
InChIKeyJZFRUJKBCCFSEU-BPLDGKMQSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol (CID 129282617) is trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol?
The InChIKey is JZFRUJKBCCFSEU-BPLDGKMQSA-N. The full InChI is InChI=1S/C15H16N2O/c18-14-7-3-6-12(14)15-11-5-2-1-4-10(11)13-8-16-9-17(13)15/h1-2,4-5,8-9,12,14-15,18H,3,6-7H2/t12-,14-,15-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol?
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 129282617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).