1-non-1-enylpyrrolidine-2,5-dione

C13H21NO2 — CID 175549961

IUPAC1-non-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h8,11H,2-7,9-10H2,1H3
InChIKeyFERAAQVADKTOLL-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.01
Rot. Bonds7

About 1-non-1-enylpyrrolidine-2,5-dione

1-non-1-enylpyrrolidine-2,5-dione (PubChem CID 175549961) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-non-1-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-non-1-enylpyrrolidine-2,5-dione
PubChem CID175549961
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-non-1-enylpyrrolidine-2,5-dione
SMILESCCCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h8,11H,2-7,9-10H2,1H3
InChIKeyFERAAQVADKTOLL-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-docosa-1,21-dienylpyrrolidine-2,5-dione
CID 139765714
1-nona-1,8-dienylpyrrolidine-2,5-dione
CID 139765716
1-[(Z)-1-aminooctadec-9-enyl]pyrrolidine-2,5-dione
CID 174854983
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
1-dodec-1-enylpiperidine
CID 54388072
(2,5-dioxopyrrolidin-1-yl) (Z)-docos-13-enoate
CID 6443861
(E)-hexadec-6-ene
CID 5352260
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300

Frequently Asked Questions

What is the IUPAC name of 1-non-1-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-non-1-enylpyrrolidine-2,5-dione (CID 175549961) is 1-non-1-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-non-1-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-non-1-enylpyrrolidine-2,5-dione is CCCCCCCC=CN1C(=O)CCC1=O.
What is the InChIKey of 1-non-1-enylpyrrolidine-2,5-dione?
The InChIKey is FERAAQVADKTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h8,11H,2-7,9-10H2,1H3.
What are the key properties of 1-non-1-enylpyrrolidine-2,5-dione?
1-non-1-enylpyrrolidine-2,5-dione has a molecular weight of 223.32 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-non-1-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 175549961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).