3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one

C10H17NO3 — CID 11412972

IUPAC3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyWMNQRJINIAJTPQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.65
Rot. Bonds3

About 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one

3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one (PubChem CID 11412972) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one
PubChem CID11412972
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H17NO3/c1-7(2)8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3
InChIKeyWMNQRJINIAJTPQ-UHFFFAOYSA-N
XLogP1.65
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one (CID 11412972) is 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one is CC(C)C(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one?
The InChIKey is WMNQRJINIAJTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)8(3)6-9(12)11-4-5-14-10(11)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one?
3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpentanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11412972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).