4-amino-5-ethyloxolan-3-one;ethane

C8H17NO2 — CID 142239651

IUPAC4-amino-5-ethyloxolan-3-one;ethane
SMILESCC.CCC1OCC(=O)C1N
InChIInChI=1S/C6H11NO2.C2H6/c1-2-5-6(7)4(8)3-9-5;1-2/h5-6H,2-3,7H2,1H3;1-2H3
InChIKeySTMAADYBHCZCCO-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.72
Rot. Bonds1

About 4-amino-5-ethyloxolan-3-one;ethane

4-amino-5-ethyloxolan-3-one;ethane (PubChem CID 142239651) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-amino-5-ethyloxolan-3-one;ethane.

Molecular Properties

Compound Name4-amino-5-ethyloxolan-3-one;ethane
PubChem CID142239651
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-amino-5-ethyloxolan-3-one;ethane
SMILESCC.CCC1OCC(=O)C1N
InChIInChI=1S/C6H11NO2.C2H6/c1-2-5-6(7)4(8)3-9-5;1-2/h5-6H,2-3,7H2,1H3;1-2H3
InChIKeySTMAADYBHCZCCO-UHFFFAOYSA-N
XLogP0.72
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyloxolan-3-one;ethane?
The IUPAC name of 4-amino-5-ethyloxolan-3-one;ethane (CID 142239651) is 4-amino-5-ethyloxolan-3-one;ethane.
What is the SMILES notation for 4-amino-5-ethyloxolan-3-one;ethane?
The canonical SMILES for 4-amino-5-ethyloxolan-3-one;ethane is CC.CCC1OCC(=O)C1N.
What is the InChIKey of 4-amino-5-ethyloxolan-3-one;ethane?
The InChIKey is STMAADYBHCZCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C2H6/c1-2-5-6(7)4(8)3-9-5;1-2/h5-6H,2-3,7H2,1H3;1-2H3.
What are the key properties of 4-amino-5-ethyloxolan-3-one;ethane?
4-amino-5-ethyloxolan-3-one;ethane has a molecular weight of 159.23 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyloxolan-3-one;ethane is sourced from PubChem (CID 142239651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).