5-(1-aminoethyl)oxolan-2-one

C6H11NO2 — CID 55289249

IUPAC5-(1-aminoethyl)oxolan-2-one
SMILESCC(N)C1CCC(=O)O1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3
InChIKeyIVUZRRZOSVJVSN-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.04
Rot. Bonds1

About 5-(1-aminoethyl)oxolan-2-one

5-(1-aminoethyl)oxolan-2-one (PubChem CID 55289249) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 5-(1-aminoethyl)oxolan-2-one.

Molecular Properties

Compound Name5-(1-aminoethyl)oxolan-2-one
PubChem CID55289249
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name5-(1-aminoethyl)oxolan-2-one
SMILESCC(N)C1CCC(=O)O1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3
InChIKeyIVUZRRZOSVJVSN-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)oxolan-2-one?
The IUPAC name of 5-(1-aminoethyl)oxolan-2-one (CID 55289249) is 5-(1-aminoethyl)oxolan-2-one.
What is the SMILES notation for 5-(1-aminoethyl)oxolan-2-one?
The canonical SMILES for 5-(1-aminoethyl)oxolan-2-one is CC(N)C1CCC(=O)O1.
What is the InChIKey of 5-(1-aminoethyl)oxolan-2-one?
The InChIKey is IVUZRRZOSVJVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(7)5-2-3-6(8)9-5/h4-5H,2-3,7H2,1H3.
What are the key properties of 5-(1-aminoethyl)oxolan-2-one?
5-(1-aminoethyl)oxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)oxolan-2-one is sourced from PubChem (CID 55289249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).