4-(aminomethyl)-1,3-dioxetan-2-one

C3H5NO3 — CID 175900406

IUPAC4-(aminomethyl)-1,3-dioxetan-2-one
SMILESNCC1OC(=O)O1
InChIInChI=1S/C3H5NO3/c4-1-2-6-3(5)7-2/h2H,1,4H2
InChIKeyUAGHHFUSGLGZCC-UHFFFAOYSA-N
MW103.08 g/mol
LogP-0.56
Rot. Bonds1

About 4-(aminomethyl)-1,3-dioxetan-2-one

4-(aminomethyl)-1,3-dioxetan-2-one (PubChem CID 175900406) has the molecular formula C3H5NO3 and a molecular weight of 103.08 g/mol. Its IUPAC name is 4-(aminomethyl)-1,3-dioxetan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1,3-dioxetan-2-one
PubChem CID175900406
Molecular FormulaC3H5NO3
Molecular Weight103.08 g/mol
Exact Mass103.03
IUPAC Name4-(aminomethyl)-1,3-dioxetan-2-one
SMILESNCC1OC(=O)O1
InChIInChI=1S/C3H5NO3/c4-1-2-6-3(5)7-2/h2H,1,4H2
InChIKeyUAGHHFUSGLGZCC-UHFFFAOYSA-N
XLogP-0.56
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.08
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,3-dioxetan-2-one?
The IUPAC name of 4-(aminomethyl)-1,3-dioxetan-2-one (CID 175900406) is 4-(aminomethyl)-1,3-dioxetan-2-one.
What is the SMILES notation for 4-(aminomethyl)-1,3-dioxetan-2-one?
The canonical SMILES for 4-(aminomethyl)-1,3-dioxetan-2-one is NCC1OC(=O)O1.
What is the InChIKey of 4-(aminomethyl)-1,3-dioxetan-2-one?
The InChIKey is UAGHHFUSGLGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO3/c4-1-2-6-3(5)7-2/h2H,1,4H2.
What are the key properties of 4-(aminomethyl)-1,3-dioxetan-2-one?
4-(aminomethyl)-1,3-dioxetan-2-one has a molecular weight of 103.08 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,3-dioxetan-2-one is sourced from PubChem (CID 175900406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).