(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione

C11H16N2O3 — CID 7455970

IUPAC(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCN1C(=O)C[C@H](N2CCOCC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-13-10(14)8-9(11(13)15)12-4-6-16-7-5-12/h2,9H,1,3-8H2/t9-/m0/s1
InChIKeyUZFXZBBRFLDPQN-VIFPVBQESA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds3

About (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione

(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione (PubChem CID 7455970) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione
PubChem CID7455970
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione
SMILESC=CCN1C(=O)C[C@H](N2CCOCC2)C1=O
InChIInChI=1S/C11H16N2O3/c1-2-3-13-10(14)8-9(11(13)15)12-4-6-16-7-5-12/h2,9H,1,3-8H2/t9-/m0/s1
InChIKeyUZFXZBBRFLDPQN-VIFPVBQESA-N
XLogP-0.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione (CID 7455970) is (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione is C=CCN1C(=O)C[C@H](N2CCOCC2)C1=O.
What is the InChIKey of (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione?
The InChIKey is UZFXZBBRFLDPQN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-3-13-10(14)8-9(11(13)15)12-4-6-16-7-5-12/h2,9H,1,3-8H2/t9-/m0/s1.
What are the key properties of (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione?
(3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of -0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-morpholin-4-yl-1-prop-2-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 7455970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).