5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione

C9H15NO3 — CID 130491226

IUPAC5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CC(C)C1OC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyZNGPZXZWYCHHSB-UHFFFAOYSA-N
MW185.22 g/mol
LogP1.30
Rot. Bonds3

About 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione

5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione (PubChem CID 130491226) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione
PubChem CID130491226
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CC(C)C1OC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12)
InChIKeyZNGPZXZWYCHHSB-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-Oxazolidinedione, 5,5-dipropyl-
CID 79876
5-Butyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 115729
5,5-Dibutyl-1,3-oxazolidine-2,4-dione
CID 116376
5-Butyloxazolidine-2,4-dione
CID 9942204
5-Propyl-1,3-oxazolidine-2,4-dione
CID 237557
5-Hexyl-1,3-oxazolidine-2,4-dione
CID 59949957
5-Pentyl-1,3-oxazolidine-2,4-dione
CID 69387192
5-Butyl-oxazolidin-2,4-dione sodium salt
CID 69745152
5-(Cyclohexylmethyl)-1,3-oxazolidine-2,4-dione
CID 70295728
5-Cyclohexyl-1,3-oxazolidine-2,4-dione
CID 70545794
5-(2,2-Dimethylpropyl)-1,3-oxazolidine-2,4-dione
CID 90078987
5-(2-Methylpropyl)-1,3-oxazolidine-2,4-dione
CID 118216506

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione (CID 130491226) is 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione is CC(C)CC(C)C1OC(=O)NC1=O.
What is the InChIKey of 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione?
The InChIKey is ZNGPZXZWYCHHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(2)4-6(3)7-8(11)10-9(12)13-7/h5-7H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione?
5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 130491226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).