3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione

C12H19NO3 — CID 70179423

IUPAC3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCC=CC1(O)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)9-10(14)13-11(12)15/h7-8,16H,2-6,9H2,1H3,(H,13,14,15)
InChIKeyROYNYKZEPHMEIT-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.29
Rot. Bonds6

About 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione

3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione (PubChem CID 70179423) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
PubChem CID70179423
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCC=CC1(O)CC(=O)NC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)9-10(14)13-11(12)15/h7-8,16H,2-6,9H2,1H3,(H,13,14,15)
InChIKeyROYNYKZEPHMEIT-UHFFFAOYSA-N
XLogP1.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hex-1-enyl-3-(2-hydroxyethyl)pyrrolidine-2,5-dione
CID 174864859
3-hydroxy-3-[(E)-oct-1-enyl]-1,6-dioxecane-2,5,7,10-tetrone
CID 139778450
1-[(E)-dodec-1-enyl]cyclohexan-1-ol
CID 14571858
3,3-bis(dodec-1-enyl)oxolane-2,5-dione
CID 142724191
(E)-10-[1-[(E)-hept-1-enyl]cyclopropyl]dec-9-enoic acid
CID 70981679
3-undec-1-enylpyrrolidine-2,5-dione
CID 70619717
3-[(E)-hexadec-1-enyl]pyrrolidine-2,5-dione
CID 23513051
(24Z)-hexatriaconta-9,24-diene
CID 173127472
(E)-nonacos-10-ene
CID 14367300
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione (CID 70179423) is 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione is CCCCCCC=CC1(O)CC(=O)NC1=O.
What is the InChIKey of 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione?
The InChIKey is ROYNYKZEPHMEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-12(16)9-10(14)13-11(12)15/h7-8,16H,2-6,9H2,1H3,(H,13,14,15).
What are the key properties of 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione?
3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-oct-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 70179423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).