2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione

C18H19NO3 — CID 11033817

IUPAC2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione
SMILESC=C[C@@H]1CC[C@@H](C=C)C1(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO3/c1-3-12-9-10-13(4-2)18(12,22)11-19-16(20)14-7-5-6-8-15(14)17(19)21/h3-8,12-13,22H,1-2,9-11H2/t12-,13-/m1/s1
InChIKeyCNOWDGLSXOIROI-CHWSQXEVSA-N
MW297.35 g/mol
LogP2.41
Rot. Bonds4

About 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione

2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione (PubChem CID 11033817) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione
PubChem CID11033817
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione
SMILESC=C[C@@H]1CC[C@@H](C=C)C1(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H19NO3/c1-3-12-9-10-13(4-2)18(12,22)11-19-16(20)14-7-5-6-8-15(14)17(19)21/h3-8,12-13,22H,1-2,9-11H2/t12-,13-/m1/s1
InChIKeyCNOWDGLSXOIROI-CHWSQXEVSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione (CID 11033817) is 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione is C=C[C@@H]1CC[C@@H](C=C)C1(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione?
The InChIKey is CNOWDGLSXOIROI-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-12-9-10-13(4-2)18(12,22)11-19-16(20)14-7-5-6-8-15(14)17(19)21/h3-8,12-13,22H,1-2,9-11H2/t12-,13-/m1/s1.
What are the key properties of 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione?
2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione has a molecular weight of 297.35 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,5S)-2,5-bis(ethenyl)-1-hydroxycyclopentyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 11033817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).