3-pentyl-1,3-oxazolidine-2,4-dione

C8H13NO3 — CID 66862802

IUPAC3-pentyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCN1C(=O)COC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-4-5-9-7(10)6-12-8(9)11/h2-6H2,1H3
InChIKeyRBHVIUOVIPSLPJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.16
Rot. Bonds4

About 3-pentyl-1,3-oxazolidine-2,4-dione

3-pentyl-1,3-oxazolidine-2,4-dione (PubChem CID 66862802) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-pentyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-pentyl-1,3-oxazolidine-2,4-dione
PubChem CID66862802
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-pentyl-1,3-oxazolidine-2,4-dione
SMILESCCCCCN1C(=O)COC1=O
InChIInChI=1S/C8H13NO3/c1-2-3-4-5-9-7(10)6-12-8(9)11/h2-6H2,1H3
InChIKeyRBHVIUOVIPSLPJ-UHFFFAOYSA-N
XLogP1.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-pentyl-1,3-oxazolidine-2,4-dione (CID 66862802) is 3-pentyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-pentyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-pentyl-1,3-oxazolidine-2,4-dione is CCCCCN1C(=O)COC1=O.
What is the InChIKey of 3-pentyl-1,3-oxazolidine-2,4-dione?
The InChIKey is RBHVIUOVIPSLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-2-3-4-5-9-7(10)6-12-8(9)11/h2-6H2,1H3.
What are the key properties of 3-pentyl-1,3-oxazolidine-2,4-dione?
3-pentyl-1,3-oxazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 66862802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).