4-amino-5-ethyloxolan-3-one

C6H11NO2 — CID 58736780

IUPAC4-amino-5-ethyloxolan-3-one
SMILESCCC1OCC(=O)C1N
InChIInChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3
InChIKeyMPQCCGPLLXHGQD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.31
Rot. Bonds1

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

4-amino-5-ethyloxolan-3-one (PubChem CID 58736780) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-amino-5-ethyloxolan-3-one.

Molecular Properties

Compound Name4-amino-5-ethyloxolan-3-one
PubChem CID58736780
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-amino-5-ethyloxolan-3-one
SMILESCCC1OCC(=O)C1N
InChIInChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3
InChIKeyMPQCCGPLLXHGQD-UHFFFAOYSA-N
XLogP-0.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.31
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?
The IUPAC name of 4-amino-5-ethyloxolan-3-one (CID 58736780) is 4-amino-5-ethyloxolan-3-one.
What is the SMILES notation for 4-amino-5-ethyloxolan-3-one?
The canonical SMILES for 4-amino-5-ethyloxolan-3-one is CCC1OCC(=O)C1N.
What is the InChIKey of 4-amino-5-ethyloxolan-3-one?
The InChIKey is MPQCCGPLLXHGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-5-6(7)4(8)3-9-5/h5-6H,2-3,7H2,1H3.
What are the key properties of 4-amino-5-ethyloxolan-3-one?
4-amino-5-ethyloxolan-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.31, 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 is sourced from PubChem (CID 58736780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).