N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide

C9H15NO3 — CID 11240869

IUPACN-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide
SMILESCCC[C@H]1OC(=O)C[C@@H]1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-3-4-8-7(10-6(2)11)5-9(12)13-8/h7-8H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyUYYLORIQUYJBKI-JGVFFNPUSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds3

About N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide

N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide (PubChem CID 11240869) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide
PubChem CID11240869
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide
SMILESCCC[C@H]1OC(=O)C[C@@H]1NC(C)=O
InChIInChI=1S/C9H15NO3/c1-3-4-8-7(10-6(2)11)5-9(12)13-8/h7-8H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1
InChIKeyUYYLORIQUYJBKI-JGVFFNPUSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide (CID 11240869) is N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide is CCC[C@H]1OC(=O)C[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide?
The InChIKey is UYYLORIQUYJBKI-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-4-8-7(10-6(2)11)5-9(12)13-8/h7-8H,3-5H2,1-2H3,(H,10,11)/t7-,8+/m0/s1.
What are the key properties of N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide?
N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide has a molecular weight of 185.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-5-oxo-2-propyloxolan-3-yl]acetamide is sourced from PubChem (CID 11240869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).