1-hex-5-enoylpyrrolidine-2,5-dione

C10H13NO3 — CID 154710212

IUPAC1-hex-5-enoylpyrrolidine-2,5-dione
SMILESC=CCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h2H,1,3-7H2
InChIKeyUBIZGUPQFGXAFF-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.02
Rot. Bonds4

About 1-hex-5-enoylpyrrolidine-2,5-dione

1-hex-5-enoylpyrrolidine-2,5-dione (PubChem CID 154710212) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-hex-5-enoylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hex-5-enoylpyrrolidine-2,5-dione
PubChem CID154710212
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-hex-5-enoylpyrrolidine-2,5-dione
SMILESC=CCCCC(=O)N1C(=O)CCC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h2H,1,3-7H2
InChIKeyUBIZGUPQFGXAFF-UHFFFAOYSA-N
XLogP1.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
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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Related Compounds

1-Pent-4-enylpyrrolidine-2,5-dione
CID 357830
1-Methyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 23382723
1-Pent-4-enoylpyrrolidine-2,5-dione
CID 122423757
1-Non-8-enoylpyrrolidine-2,5-dione
CID 132060749
1-Tert-butyl-3-prop-2-enylpyrrolidine-2,5-dione
CID 140251944
1-Hept-6-enylpyrrolidine-2,5-dione
CID 144870638
1-Hex-5-enylpyrrolidine-2,5-dione
CID 154091219
1-[(Z)-hept-5-enoyl]pyrrolidine-2,5-dione
CID 158699380

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-enoylpyrrolidine-2,5-dione?
The IUPAC name of 1-hex-5-enoylpyrrolidine-2,5-dione (CID 154710212) is 1-hex-5-enoylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-hex-5-enoylpyrrolidine-2,5-dione?
The canonical SMILES for 1-hex-5-enoylpyrrolidine-2,5-dione is C=CCCCC(=O)N1C(=O)CCC1=O.
What is the InChIKey of 1-hex-5-enoylpyrrolidine-2,5-dione?
The InChIKey is UBIZGUPQFGXAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-4-5-8(12)11-9(13)6-7-10(11)14/h2H,1,3-7H2.
What are the key properties of 1-hex-5-enoylpyrrolidine-2,5-dione?
1-hex-5-enoylpyrrolidine-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-enoylpyrrolidine-2,5-dione is sourced from PubChem (CID 154710212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).