N-(1,3-dioxolan-4-yl)acetamide

C5H9NO3 — CID 67192532

IUPACN-(1,3-dioxolan-4-yl)acetamide
SMILESCC(=O)NC1COCO1
InChIInChI=1S/C5H9NO3/c1-4(7)6-5-2-8-3-9-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyWOXPITDHRSXOOP-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.55
Rot. Bonds1

About N-(1,3-dioxolan-4-yl)acetamide

N-(1,3-dioxolan-4-yl)acetamide (PubChem CID 67192532) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is N-(1,3-dioxolan-4-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dioxolan-4-yl)acetamide
PubChem CID67192532
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC NameN-(1,3-dioxolan-4-yl)acetamide
SMILESCC(=O)NC1COCO1
InChIInChI=1S/C5H9NO3/c1-4(7)6-5-2-8-3-9-5/h5H,2-3H2,1H3,(H,6,7)
InChIKeyWOXPITDHRSXOOP-UHFFFAOYSA-N
XLogP-0.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-4-yl)acetamide?
The IUPAC name of N-(1,3-dioxolan-4-yl)acetamide (CID 67192532) is N-(1,3-dioxolan-4-yl)acetamide.
What is the SMILES notation for N-(1,3-dioxolan-4-yl)acetamide?
The canonical SMILES for N-(1,3-dioxolan-4-yl)acetamide is CC(=O)NC1COCO1.
What is the InChIKey of N-(1,3-dioxolan-4-yl)acetamide?
The InChIKey is WOXPITDHRSXOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-4(7)6-5-2-8-3-9-5/h5H,2-3H2,1H3,(H,6,7).
What are the key properties of N-(1,3-dioxolan-4-yl)acetamide?
N-(1,3-dioxolan-4-yl)acetamide has a molecular weight of 131.13 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-4-yl)acetamide is sourced from PubChem (CID 67192532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).