N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide

C6H9NO4 — CID 135043147

IUPACN-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(=O)O1
InChIInChI=1S/C6H9NO4/c1-4(8)7-2-5-3-10-6(9)11-5/h5H,2-3H2,1H3,(H,7,8)
InChIKeyGHFDWGSUEWZVBW-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.34
Rot. Bonds2

About N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide

N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide (PubChem CID 135043147) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide
PubChem CID135043147
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC NameN-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1COC(=O)O1
InChIInChI=1S/C6H9NO4/c1-4(8)7-2-5-3-10-6(9)11-5/h5H,2-3H2,1H3,(H,7,8)
InChIKeyGHFDWGSUEWZVBW-UHFFFAOYSA-N
XLogP-0.34
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide?
The IUPAC name of N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide (CID 135043147) is N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide is CC(=O)NCC1COC(=O)O1.
What is the InChIKey of N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide?
The InChIKey is GHFDWGSUEWZVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)7-2-5-3-10-6(9)11-5/h5H,2-3H2,1H3,(H,7,8).
What are the key properties of N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide?
N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide has a molecular weight of 159.14 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1,3-dioxolan-4-yl)methyl]acetamide is sourced from PubChem (CID 135043147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).