(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

C15H16N2O2 — CID 129282768

IUPAC(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESCc1ccc2c(c1)[C@H]([C@@H]1COC[C@H]1O)n1cncc1-2
InChIInChI=1S/C15H16N2O2/c1-9-2-3-10-11(4-9)15(12-6-19-7-14(12)18)17-8-16-5-13(10)17/h2-5,8,12,14-15,18H,6-7H2,1H3/t12-,14-,15-/m1/s1
InChIKeyCRRNFHUVOXOVMT-BPLDGKMQSA-N
MW256.30 g/mol
LogP1.77
Rot. Bonds1

About (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (PubChem CID 129282768) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
PubChem CID129282768
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESCc1ccc2c(c1)[C@H]([C@@H]1COC[C@H]1O)n1cncc1-2
InChIInChI=1S/C15H16N2O2/c1-9-2-3-10-11(4-9)15(12-6-19-7-14(12)18)17-8-16-5-13(10)17/h2-5,8,12,14-15,18H,6-7H2,1H3/t12-,14-,15-/m1/s1
InChIKeyCRRNFHUVOXOVMT-BPLDGKMQSA-N
XLogP1.77
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (CID 129282768) is (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is Cc1ccc2c(c1)[C@H]([C@@H]1COC[C@H]1O)n1cncc1-2.
What is the InChIKey of (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The InChIKey is CRRNFHUVOXOVMT-BPLDGKMQSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-2-3-10-11(4-9)15(12-6-19-7-14(12)18)17-8-16-5-13(10)17/h2-5,8,12,14-15,18H,6-7H2,1H3/t12-,14-,15-/m1/s1.
What are the key properties of (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol has a molecular weight of 256.30 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is sourced from PubChem (CID 129282768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).