3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione

C15H25NO3 — CID 174865206

IUPAC3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-15(10-11-17)12-13(18)16-14(15)19/h8-9,17H,2-7,10-12H2,1H3,(H,16,18,19)
InChIKeyPXUIWLDHYJITFO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.32
Rot. Bonds9

About 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione

3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione (PubChem CID 174865206) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione
PubChem CID174865206
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCC=CC1(CCO)CC(=O)NC1=O
InChIInChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-15(10-11-17)12-13(18)16-14(15)19/h8-9,17H,2-7,10-12H2,1H3,(H,16,18,19)
InChIKeyPXUIWLDHYJITFO-UHFFFAOYSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione (CID 174865206) is 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione is CCCCCCCC=CC1(CCO)CC(=O)NC1=O.
What is the InChIKey of 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione?
The InChIKey is PXUIWLDHYJITFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-3-4-5-6-7-8-9-15(10-11-17)12-13(18)16-14(15)19/h8-9,17H,2-7,10-12H2,1H3,(H,16,18,19).
What are the key properties of 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione?
3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione has a molecular weight of 267.37 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-3-non-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 174865206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).