1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione

C20H35NO3 — CID 6436612

IUPAC1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione
SMILESCCC/C=C\CCCCCCCCCC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h4-5,18,22H,2-3,6-17H2,1H3/b5-4-
InChIKeyHKHVYVHBFIZLGP-PLNGDYQASA-N
MW337.50 g/mol
LogP4.22
Rot. Bonds14

About 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione

1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione (PubChem CID 6436612) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione
PubChem CID6436612
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione
SMILESCCC/C=C\CCCCCCCCCC1CC(=O)N(CCO)C1=O
InChIInChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h4-5,18,22H,2-3,6-17H2,1H3/b5-4-
InChIKeyHKHVYVHBFIZLGP-PLNGDYQASA-N
XLogP4.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.22
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-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione (CID 6436612) is 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione is CCC/C=C\CCCCCCCCCC1CC(=O)N(CCO)C1=O.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione?
The InChIKey is HKHVYVHBFIZLGP-PLNGDYQASA-N. The full InChI is InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-17-19(23)21(15-16-22)20(18)24/h4-5,18,22H,2-3,6-17H2,1H3/b5-4-.
What are the key properties of 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione?
1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione has a molecular weight of 337.50 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(Z)-tetradec-10-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6436612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).