4-(1-aminoethyl)oxolan-2-one

C6H11NO2 — CID 173037685

IUPAC4-(1-aminoethyl)oxolan-2-one
SMILESCC(N)C1COC(=O)C1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-6(8)9-3-5/h4-5H,2-3,7H2,1H3
InChIKeyLLMHLSKIRVENTD-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.10
Rot. Bonds1

About 4-(1-aminoethyl)oxolan-2-one

4-(1-aminoethyl)oxolan-2-one (PubChem CID 173037685) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-(1-aminoethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1-aminoethyl)oxolan-2-one
PubChem CID173037685
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-(1-aminoethyl)oxolan-2-one
SMILESCC(N)C1COC(=O)C1
InChIInChI=1S/C6H11NO2/c1-4(7)5-2-6(8)9-3-5/h4-5H,2-3,7H2,1H3
InChIKeyLLMHLSKIRVENTD-UHFFFAOYSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)oxolan-2-one?
The IUPAC name of 4-(1-aminoethyl)oxolan-2-one (CID 173037685) is 4-(1-aminoethyl)oxolan-2-one.
What is the SMILES notation for 4-(1-aminoethyl)oxolan-2-one?
The canonical SMILES for 4-(1-aminoethyl)oxolan-2-one is CC(N)C1COC(=O)C1.
What is the InChIKey of 4-(1-aminoethyl)oxolan-2-one?
The InChIKey is LLMHLSKIRVENTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(7)5-2-6(8)9-3-5/h4-5H,2-3,7H2,1H3.
What are the key properties of 4-(1-aminoethyl)oxolan-2-one?
4-(1-aminoethyl)oxolan-2-one has a molecular weight of 129.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)oxolan-2-one is sourced from PubChem (CID 173037685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).