1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione

C16H21NO4 — CID 7472732

IUPAC1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione
SMILESCC[C@H](C)c1ccccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C16H21NO4/c1-3-12(2)13-6-4-5-7-14(13)20-10-11-21-17-15(18)8-9-16(17)19/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyIJIFSNSBZYUODW-LBPRGKRZSA-N
MW291.35 g/mol
LogP2.66
Rot. Bonds7

About 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione

1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione (PubChem CID 7472732) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione
PubChem CID7472732
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione
SMILESCC[C@H](C)c1ccccc1OCCON1C(=O)CCC1=O
InChIInChI=1S/C16H21NO4/c1-3-12(2)13-6-4-5-7-14(13)20-10-11-21-17-15(18)8-9-16(17)19/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1
InChIKeyIJIFSNSBZYUODW-LBPRGKRZSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione (CID 7472732) is 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione is CC[C@H](C)c1ccccc1OCCON1C(=O)CCC1=O.
What is the InChIKey of 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione?
The InChIKey is IJIFSNSBZYUODW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-12(2)13-6-4-5-7-14(13)20-10-11-21-17-15(18)8-9-16(17)19/h4-7,12H,3,8-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione?
1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2S)-butan-2-yl]phenoxy]ethoxy]pyrrolidine-2,5-dione is sourced from PubChem (CID 7472732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).