4-amino-5-methyl-1,3-dioxolan-2-one

C4H7NO3 — CID 67944601

IUPAC4-amino-5-methyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1N
InChIInChI=1S/C4H7NO3/c1-2-3(5)8-4(6)7-2/h2-3H,5H2,1H3
InChIKeyHDNMLNZLZSAOQG-UHFFFAOYSA-N
MW117.10 g/mol
LogP-0.17
Rot. Bonds

About 4-amino-5-methyl-1,3-dioxolan-2-one

4-amino-5-methyl-1,3-dioxolan-2-one (PubChem CID 67944601) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 4-amino-5-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-amino-5-methyl-1,3-dioxolan-2-one
PubChem CID67944601
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name4-amino-5-methyl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1N
InChIInChI=1S/C4H7NO3/c1-2-3(5)8-4(6)7-2/h2-3H,5H2,1H3
InChIKeyHDNMLNZLZSAOQG-UHFFFAOYSA-N
XLogP-0.17
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1,3-dioxolan-2-one?
The IUPAC name of 4-amino-5-methyl-1,3-dioxolan-2-one (CID 67944601) is 4-amino-5-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-amino-5-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-amino-5-methyl-1,3-dioxolan-2-one is CC1OC(=O)OC1N.
What is the InChIKey of 4-amino-5-methyl-1,3-dioxolan-2-one?
The InChIKey is HDNMLNZLZSAOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-2-3(5)8-4(6)7-2/h2-3H,5H2,1H3.
What are the key properties of 4-amino-5-methyl-1,3-dioxolan-2-one?
4-amino-5-methyl-1,3-dioxolan-2-one has a molecular weight of 117.10 g/mol, XLogP of -0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 67944601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).