1-hex-3-enylpyrrolidine-2,5-dione

C10H15NO2 — CID 173440216

IUPAC1-hex-3-enylpyrrolidine-2,5-dione
SMILESCCC=CCCN1C(=O)CCC1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h3-4H,2,5-8H2,1H3
InChIKeyYKVIDVJFVVDOLA-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.49
Rot. Bonds4

About 1-hex-3-enylpyrrolidine-2,5-dione

1-hex-3-enylpyrrolidine-2,5-dione (PubChem CID 173440216) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-hex-3-enylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hex-3-enylpyrrolidine-2,5-dione
PubChem CID173440216
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-hex-3-enylpyrrolidine-2,5-dione
SMILESCCC=CCCN1C(=O)CCC1=O
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h3-4H,2,5-8H2,1H3
InChIKeyYKVIDVJFVVDOLA-UHFFFAOYSA-N
XLogP1.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Pent-4-enylpyrrolidine-2,5-dione
CID 357830
1-((2E)-3,7-Dimethylocta-2,6-dien-1-yl)pyrrolidine-2,5-dione
CID 6443498
1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]pyrrolidine-2,5-dione
CID 45484093
1-(But-3-en-1-yl)pyrrolidine-2,5-dione
CID 12395836
1-(Cyclohepta-2,4,6-trien-1-yl)pyrrolidine-2,5-dione
CID 286085
1-[(E)-hex-1-enyl]pyrrolidine-2,5-dione
CID 12174707
1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine-2,5-dione
CID 190630
1-[(E)-but-2-enyl]pyrrolidine-2,5-dione
CID 14942503
1-(4-Methylpent-3-enyl)pyrrolidine-2,5-dione
CID 86097288
1-[(E)-4-methylpent-2-enoyl]pyrrolidin-2-one
CID 11252348
1-[(E)-hex-3-enyl]pyrrolidine-2,5-dione
CID 12395840
1-[(E)-5-tributylstannylpent-3-enyl]pyrrolidine-2,5-dione
CID 14395193

Frequently Asked Questions

What is the IUPAC name of 1-hex-3-enylpyrrolidine-2,5-dione?
The IUPAC name of 1-hex-3-enylpyrrolidine-2,5-dione (CID 173440216) is 1-hex-3-enylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hex-3-enylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hex-3-enylpyrrolidine-2,5-dione is CCC=CCCN1C(=O)CCC1=O.
What is the InChIKey of 1-hex-3-enylpyrrolidine-2,5-dione?
The InChIKey is YKVIDVJFVVDOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-8-11-9(12)6-7-10(11)13/h3-4H,2,5-8H2,1H3.
What are the key properties of 1-hex-3-enylpyrrolidine-2,5-dione?
1-hex-3-enylpyrrolidine-2,5-dione has a molecular weight of 181.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-3-enylpyrrolidine-2,5-dione is sourced from PubChem (CID 173440216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).