4-(methylaminomethyl)-1,3-dioxolan-2-one

C5H9NO3 — CID 55300687

IUPAC4-(methylaminomethyl)-1,3-dioxolan-2-one
SMILESCNCC1COC(=O)O1
InChIInChI=1S/C5H9NO3/c1-6-2-4-3-8-5(7)9-4/h4,6H,2-3H2,1H3
InChIKeyCNLOLEQRBDDLIW-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.26
Rot. Bonds2

About 4-(methylaminomethyl)-1,3-dioxolan-2-one

4-(methylaminomethyl)-1,3-dioxolan-2-one (PubChem CID 55300687) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 4-(methylaminomethyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(methylaminomethyl)-1,3-dioxolan-2-one
PubChem CID55300687
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name4-(methylaminomethyl)-1,3-dioxolan-2-one
SMILESCNCC1COC(=O)O1
InChIInChI=1S/C5H9NO3/c1-6-2-4-3-8-5(7)9-4/h4,6H,2-3H2,1H3
InChIKeyCNLOLEQRBDDLIW-UHFFFAOYSA-N
XLogP-0.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(methylaminomethyl)-1,3-dioxolan-2-one (CID 55300687) is 4-(methylaminomethyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(methylaminomethyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(methylaminomethyl)-1,3-dioxolan-2-one is CNCC1COC(=O)O1.
What is the InChIKey of 4-(methylaminomethyl)-1,3-dioxolan-2-one?
The InChIKey is CNLOLEQRBDDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-6-2-4-3-8-5(7)9-4/h4,6H,2-3H2,1H3.
What are the key properties of 4-(methylaminomethyl)-1,3-dioxolan-2-one?
4-(methylaminomethyl)-1,3-dioxolan-2-one has a molecular weight of 131.13 g/mol, XLogP of -0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 55300687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).