1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione

C13H19NO4 — CID 66880681

IUPAC1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione
SMILESCCOC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1OCC
InChIInChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3/t9-,10?,13-/m0/s1
InChIKeyKETBMQWDYQZXTC-DZGIZQBRSA-N
MW253.30 g/mol
LogP0.88
Rot. Bonds5

About 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione

1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione (PubChem CID 66880681) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione
PubChem CID66880681
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione
SMILESCCOC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1OCC
InChIInChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3/t9-,10?,13-/m0/s1
InChIKeyKETBMQWDYQZXTC-DZGIZQBRSA-N
XLogP0.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione (CID 66880681) is 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione is CCOC1CC[C@H](N2C(=O)C=CC2=O)[C@@H]1OCC.
What is the InChIKey of 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione?
The InChIKey is KETBMQWDYQZXTC-DZGIZQBRSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-17-10-6-5-9(13(10)18-4-2)14-11(15)7-8-12(14)16/h7-10,13H,3-6H2,1-2H3/t9-,10?,13-/m0/s1.
What are the key properties of 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2,3-diethoxycyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66880681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).