1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione

C21H37NO3 — CID 67894712

IUPAC1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC=CC1CC(=O)N(CCCO)C1=O
InChIInChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)22(21(19)25)16-14-17-23/h13,15,19,23H,2-12,14,16-18H2,1H3
InChIKeyZEXBGOIQPPWLNJ-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.61
Rot. Bonds15

About 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione

1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione (PubChem CID 67894712) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione
PubChem CID67894712
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCCCCCCC=CC1CC(=O)N(CCCO)C1=O
InChIInChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)22(21(19)25)16-14-17-23/h13,15,19,23H,2-12,14,16-18H2,1H3
InChIKeyZEXBGOIQPPWLNJ-UHFFFAOYSA-N
XLogP4.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione (CID 67894712) is 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione is CCCCCCCCCCCCC=CC1CC(=O)N(CCCO)C1=O.
What is the InChIKey of 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione?
The InChIKey is ZEXBGOIQPPWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-18-20(24)22(21(19)25)16-14-17-23/h13,15,19,23H,2-12,14,16-18H2,1H3.
What are the key properties of 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione?
1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione has a molecular weight of 351.53 g/mol, XLogP of 4.61, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-tetradec-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 67894712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).