4-amino-5-prop-2-enyloxolan-3-one

C7H11NO2 — CID 69191098

IUPAC4-amino-5-prop-2-enyloxolan-3-one
SMILESC=CCC1OCC(=O)C1N
InChIInChI=1S/C7H11NO2/c1-2-3-6-7(8)5(9)4-10-6/h2,6-7H,1,3-4,8H2
InChIKeyPPTGJXLDGKJIPH-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.14
Rot. Bonds2

About 4-amino-5-prop-2-enyloxolan-3-one

4-amino-5-prop-2-enyloxolan-3-one (PubChem CID 69191098) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-amino-5-prop-2-enyloxolan-3-one.

Molecular Properties

Compound Name4-amino-5-prop-2-enyloxolan-3-one
PubChem CID69191098
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-amino-5-prop-2-enyloxolan-3-one
SMILESC=CCC1OCC(=O)C1N
InChIInChI=1S/C7H11NO2/c1-2-3-6-7(8)5(9)4-10-6/h2,6-7H,1,3-4,8H2
InChIKeyPPTGJXLDGKJIPH-UHFFFAOYSA-N
XLogP-0.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-prop-2-enyloxolan-3-one?
The IUPAC name of 4-amino-5-prop-2-enyloxolan-3-one (CID 69191098) is 4-amino-5-prop-2-enyloxolan-3-one.
What is the SMILES notation for 4-amino-5-prop-2-enyloxolan-3-one?
The canonical SMILES for 4-amino-5-prop-2-enyloxolan-3-one is C=CCC1OCC(=O)C1N.
What is the InChIKey of 4-amino-5-prop-2-enyloxolan-3-one?
The InChIKey is PPTGJXLDGKJIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-6-7(8)5(9)4-10-6/h2,6-7H,1,3-4,8H2.
What are the key properties of 4-amino-5-prop-2-enyloxolan-3-one?
4-amino-5-prop-2-enyloxolan-3-one has a molecular weight of 141.17 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-prop-2-enyloxolan-3-one is sourced from PubChem (CID 69191098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).