4-amino-5-ethyl-1,3-dioxol-2-one

C5H7NO3 — CID 142010573

IUPAC4-amino-5-ethyl-1,3-dioxol-2-one
SMILESCCc1oc(=O)oc1N
InChIInChI=1S/C5H7NO3/c1-2-3-4(6)9-5(7)8-3/h2,6H2,1H3
InChIKeyDVIAGZACTXOHHX-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.38
Rot. Bonds1

About 4-amino-5-ethyl-1,3-dioxol-2-one

4-amino-5-ethyl-1,3-dioxol-2-one (PubChem CID 142010573) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 4-amino-5-ethyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-amino-5-ethyl-1,3-dioxol-2-one
PubChem CID142010573
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name4-amino-5-ethyl-1,3-dioxol-2-one
SMILESCCc1oc(=O)oc1N
InChIInChI=1S/C5H7NO3/c1-2-3-4(6)9-5(7)8-3/h2,6H2,1H3
InChIKeyDVIAGZACTXOHHX-UHFFFAOYSA-N
XLogP0.38
TPSA69.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-1,3-dioxol-2-one?
The IUPAC name of 4-amino-5-ethyl-1,3-dioxol-2-one (CID 142010573) is 4-amino-5-ethyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-amino-5-ethyl-1,3-dioxol-2-one?
The canonical SMILES for 4-amino-5-ethyl-1,3-dioxol-2-one is CCc1oc(=O)oc1N.
What is the InChIKey of 4-amino-5-ethyl-1,3-dioxol-2-one?
The InChIKey is DVIAGZACTXOHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-2-3-4(6)9-5(7)8-3/h2,6H2,1H3.
What are the key properties of 4-amino-5-ethyl-1,3-dioxol-2-one?
4-amino-5-ethyl-1,3-dioxol-2-one has a molecular weight of 129.11 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-1,3-dioxol-2-one is sourced from PubChem (CID 142010573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).