N-(4-oxooxolan-3-yl)acetamide

C6H9NO3 — CID 123326403

IUPACN-(4-oxooxolan-3-yl)acetamide
SMILESCC(=O)NC1COCC1=O
InChIInChI=1S/C6H9NO3/c1-4(8)7-5-2-10-3-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKeyNQMSLAQDUMOQGZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.91
Rot. Bonds1

About N-(4-oxooxolan-3-yl)acetamide

N-(4-oxooxolan-3-yl)acetamide (PubChem CID 123326403) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is N-(4-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxooxolan-3-yl)acetamide
PubChem CID123326403
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC NameN-(4-oxooxolan-3-yl)acetamide
SMILESCC(=O)NC1COCC1=O
InChIInChI=1S/C6H9NO3/c1-4(8)7-5-2-10-3-6(5)9/h5H,2-3H2,1H3,(H,7,8)
InChIKeyNQMSLAQDUMOQGZ-UHFFFAOYSA-N
XLogP-0.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxooxolan-3-yl)acetamide?
The IUPAC name of N-(4-oxooxolan-3-yl)acetamide (CID 123326403) is N-(4-oxooxolan-3-yl)acetamide.
What is the SMILES notation for N-(4-oxooxolan-3-yl)acetamide?
The canonical SMILES for N-(4-oxooxolan-3-yl)acetamide is CC(=O)NC1COCC1=O.
What is the InChIKey of N-(4-oxooxolan-3-yl)acetamide?
The InChIKey is NQMSLAQDUMOQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4(8)7-5-2-10-3-6(5)9/h5H,2-3H2,1H3,(H,7,8).
What are the key properties of N-(4-oxooxolan-3-yl)acetamide?
N-(4-oxooxolan-3-yl)acetamide has a molecular weight of 143.14 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 123326403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).