3-hexanoyl-1-hydroxypyrrolidine-2,5-dione

C10H15NO4 — CID 70298720

IUPAC3-hexanoyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-8(12)7-6-9(13)11(15)10(7)14/h7,15H,2-6H2,1H3
InChIKeyBNIOKEMMSLHPKY-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.90
Rot. Bonds5

About 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione

3-hexanoyl-1-hydroxypyrrolidine-2,5-dione (PubChem CID 70298720) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-hexanoyl-1-hydroxypyrrolidine-2,5-dione
PubChem CID70298720
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-hexanoyl-1-hydroxypyrrolidine-2,5-dione
SMILESCCCCCC(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C10H15NO4/c1-2-3-4-5-8(12)7-6-9(13)11(15)10(7)14/h7,15H,2-6H2,1H3
InChIKeyBNIOKEMMSLHPKY-UHFFFAOYSA-N
XLogP0.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

11-mercaptoundecanoyl-N-hydroxysuccinimide
CID 129886946
(3S,4R)-1-Hydroxy-3-methyl-4-pivaloylpyrrolidine-2,5-dione
CID 10656213
3-(6-Aminohexanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 18186104
1-Hydroxy-3-propanoylpyrrolidine-2,5-dione
CID 18938729
3-Dodecyl-1-hydroxypyrrolidine-2,5-dione
CID 19790039
3-Hexadecanoyl-1-hydroxypyrrolidine-2,5-dione
CID 21982960
3-Hexyl-1-methoxypyrrolidine-2,5-dione
CID 59172774
3-Butyl-1-hydroxypyrrolidine-2,5-dione
CID 59622423
3-(6-Aminodecanoyl)-1-hydroxypyrrolidine-2,5-dione
CID 66916721
1-Hydroxy-3-pentylpyrrolidine-2,5-dione
CID 67151025
3-Decanoyl-1-hydroxypyrrolidine-2,5-dione
CID 67217450
3-Hexanoylpyrrolidine-2,5-dione
CID 67276835

Frequently Asked Questions

What is the IUPAC name of 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione?
The IUPAC name of 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione (CID 70298720) is 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione is CCCCCC(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione?
The InChIKey is BNIOKEMMSLHPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-3-4-5-8(12)7-6-9(13)11(15)10(7)14/h7,15H,2-6H2,1H3.
What are the key properties of 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione?
3-hexanoyl-1-hydroxypyrrolidine-2,5-dione has a molecular weight of 213.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexanoyl-1-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 70298720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).