4-heptyl-1,3-oxazolidine-2,5-dione

C10H17NO3 — CID 102249134

IUPAC4-heptyl-1,3-oxazolidine-2,5-dione
SMILESCCCCCCCC1NC(=O)OC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-6-7-8-9(12)14-10(13)11-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyHXXRCJAXHGBYPL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.98
Rot. Bonds6

About 4-heptyl-1,3-oxazolidine-2,5-dione

4-heptyl-1,3-oxazolidine-2,5-dione (PubChem CID 102249134) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-heptyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-heptyl-1,3-oxazolidine-2,5-dione
PubChem CID102249134
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-heptyl-1,3-oxazolidine-2,5-dione
SMILESCCCCCCCC1NC(=O)OC1=O
InChIInChI=1S/C10H17NO3/c1-2-3-4-5-6-7-8-9(12)14-10(13)11-8/h8H,2-7H2,1H3,(H,11,13)
InChIKeyHXXRCJAXHGBYPL-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 3-(2,5-dioxo-1,3-oxazolidin-4-yl)propanoate
CID 100949293
3-nonyloxetane-2,4-dione
CID 87532887
4-(aminomethyl)-1,3-oxazolidine-2,5-dione
CID 89102587
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
3-hexyl-4-methylideneoxolane-2,5-dione
CID 156581153
azanide;dichloroplatinum(2+);bis(4-[4-(2,5-dioxo-1,3-oxazolidin-4-yl)butylamino]-4-oxobutanoic acid)
CID 176586905
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
3-hexadecyl-4-undecylideneoxetan-2-one
CID 71342260
(4Z)-4-heptadecylidene-3-tetradecyloxetan-2-one
CID 22833450
4-(tert-butylsulfanylmethyl)-1,3-oxazolidine-2,5-dione
CID 76739962
4-methylidene-5-pentylimidazolidin-2-one
CID 174379713
3-dotriacontyloxolane-2,5-dione
CID 14694279

Frequently Asked Questions

What is the IUPAC name of 4-heptyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-heptyl-1,3-oxazolidine-2,5-dione (CID 102249134) is 4-heptyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-heptyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-heptyl-1,3-oxazolidine-2,5-dione is CCCCCCCC1NC(=O)OC1=O.
What is the InChIKey of 4-heptyl-1,3-oxazolidine-2,5-dione?
The InChIKey is HXXRCJAXHGBYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-4-5-6-7-8-9(12)14-10(13)11-8/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 4-heptyl-1,3-oxazolidine-2,5-dione?
4-heptyl-1,3-oxazolidine-2,5-dione has a molecular weight of 199.25 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 102249134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).