2-(dioxolan-4-yl)acetamide

C5H9NO3 — CID 87931797

IUPAC2-(dioxolan-4-yl)acetamide
SMILESNC(=O)CC1COOC1
InChIInChI=1S/C5H9NO3/c6-5(7)1-4-2-8-9-3-4/h4H,1-3H2,(H2,6,7)
InChIKeyRZSOVTMAKKGAQS-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.56
Rot. Bonds2

About 2-(dioxolan-4-yl)acetamide

2-(dioxolan-4-yl)acetamide (PubChem CID 87931797) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-(dioxolan-4-yl)acetamide.

Molecular Properties

Compound Name2-(dioxolan-4-yl)acetamide
PubChem CID87931797
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-(dioxolan-4-yl)acetamide
SMILESNC(=O)CC1COOC1
InChIInChI=1S/C5H9NO3/c6-5(7)1-4-2-8-9-3-4/h4H,1-3H2,(H2,6,7)
InChIKeyRZSOVTMAKKGAQS-UHFFFAOYSA-N
XLogP-0.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dioxolan-4-yl)acetamide?
The IUPAC name of 2-(dioxolan-4-yl)acetamide (CID 87931797) is 2-(dioxolan-4-yl)acetamide.
What is the SMILES notation for 2-(dioxolan-4-yl)acetamide?
The canonical SMILES for 2-(dioxolan-4-yl)acetamide is NC(=O)CC1COOC1.
What is the InChIKey of 2-(dioxolan-4-yl)acetamide?
The InChIKey is RZSOVTMAKKGAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c6-5(7)1-4-2-8-9-3-4/h4H,1-3H2,(H2,6,7).
What are the key properties of 2-(dioxolan-4-yl)acetamide?
2-(dioxolan-4-yl)acetamide has a molecular weight of 131.13 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dioxolan-4-yl)acetamide is sourced from PubChem (CID 87931797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).