1-nona-1,8-dienylpyrrolidine-2,5-dione

C13H19NO2 — CID 139765716

IUPAC1-nona-1,8-dienylpyrrolidine-2,5-dione
SMILESC=CCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h2,8,11H,1,3-7,9-10H2
InChIKeyWOUUTFFTKQLZDF-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.79
Rot. Bonds7

About 1-nona-1,8-dienylpyrrolidine-2,5-dione

1-nona-1,8-dienylpyrrolidine-2,5-dione (PubChem CID 139765716) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-nona-1,8-dienylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-nona-1,8-dienylpyrrolidine-2,5-dione
PubChem CID139765716
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-nona-1,8-dienylpyrrolidine-2,5-dione
SMILESC=CCCCCCC=CN1C(=O)CCC1=O
InChIInChI=1S/C13H19NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h2,8,11H,1,3-7,9-10H2
InChIKeyWOUUTFFTKQLZDF-UHFFFAOYSA-N
XLogP2.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-docosa-1,21-dienylpyrrolidine-2,5-dione
CID 139765714
1-non-1-enylpyrrolidine-2,5-dione
CID 175549961
icosa-1,9,19-triene
CID 57001912
heptahexaconta-1,23,66-triene
CID 57275880
1-undec-10-enylpiperidin-2-one
CID 23295884
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
(2,5-dioxopyrrolidin-1-yl) hept-6-enoate
CID 118510926
1-nonadec-18-enoylazepan-2-one
CID 19855822
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1,3,5-tris(dec-9-enyl)-1,3,5-triazinane-2,4,6-trione
CID 135325486

Frequently Asked Questions

What is the IUPAC name of 1-nona-1,8-dienylpyrrolidine-2,5-dione?
The IUPAC name of 1-nona-1,8-dienylpyrrolidine-2,5-dione (CID 139765716) is 1-nona-1,8-dienylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-nona-1,8-dienylpyrrolidine-2,5-dione?
The canonical SMILES for 1-nona-1,8-dienylpyrrolidine-2,5-dione is C=CCCCCCC=CN1C(=O)CCC1=O.
What is the InChIKey of 1-nona-1,8-dienylpyrrolidine-2,5-dione?
The InChIKey is WOUUTFFTKQLZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-5-6-7-8-11-14-12(15)9-10-13(14)16/h2,8,11H,1,3-7,9-10H2.
What are the key properties of 1-nona-1,8-dienylpyrrolidine-2,5-dione?
1-nona-1,8-dienylpyrrolidine-2,5-dione has a molecular weight of 221.30 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nona-1,8-dienylpyrrolidine-2,5-dione is sourced from PubChem (CID 139765716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).