5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione

C7H11NO3 — CID 118216506

IUPAC5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CC1OC(=O)NC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(9)8-7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyLRLGZFVVCFTMLO-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds2

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

5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (PubChem CID 118216506) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
PubChem CID118216506
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CC1OC(=O)NC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(9)8-7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyLRLGZFVVCFTMLO-UHFFFAOYSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (CID 118216506) is 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is CC(C)CC1OC(=O)NC1=O.
What is the InChIKey of 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is LRLGZFVVCFTMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)3-5-6(9)8-7(10)11-5/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 118216506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).