2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione

C20H19NO3 — CID 68810098

IUPAC2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C20H19NO3/c22-19-15-9-4-5-10-16(15)20(23)21(19)17-11-6-12-18(17)24-13-14-7-2-1-3-8-14/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
InChIKeySZMFFKNYHHLBBJ-ZWKOTPCHSA-N
MW321.38 g/mol
LogP3.42
Rot. Bonds4

About 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione

2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione (PubChem CID 68810098) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
PubChem CID68810098
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]1OCc1ccccc1
InChIInChI=1S/C20H19NO3/c22-19-15-9-4-5-10-16(15)20(23)21(19)17-11-6-12-18(17)24-13-14-7-2-1-3-8-14/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1
InChIKeySZMFFKNYHHLBBJ-ZWKOTPCHSA-N
XLogP3.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione (CID 68810098) is 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@H]1OCc1ccccc1.
What is the InChIKey of 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione?
The InChIKey is SZMFFKNYHHLBBJ-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19-15-9-4-5-10-16(15)20(23)21(19)17-11-6-12-18(17)24-13-14-7-2-1-3-8-14/h1-5,7-10,17-18H,6,11-13H2/t17-,18+/m0/s1.
What are the key properties of 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione?
2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione has a molecular weight of 321.38 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione is sourced from PubChem (CID 68810098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).