2-ethenyloxolan-3-amine

C6H11NO — CID 122236250

IUPAC2-ethenyloxolan-3-amine
SMILESC=CC1OCCC1N
InChIInChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2
InChIKeyMNJYWTHQNUBTIC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds1

About 2-ethenyloxolan-3-amine

2-ethenyloxolan-3-amine (PubChem CID 122236250) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-ethenyloxolan-3-amine.

Molecular Properties

Compound Name2-ethenyloxolan-3-amine
PubChem CID122236250
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-ethenyloxolan-3-amine
SMILESC=CC1OCCC1N
InChIInChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2
InChIKeyMNJYWTHQNUBTIC-UHFFFAOYSA-N
XLogP0.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-ethenyloxolan-3-amine?
The IUPAC name of 2-ethenyloxolan-3-amine (CID 122236250) is 2-ethenyloxolan-3-amine.
What is the SMILES notation for 2-ethenyloxolan-3-amine?
The canonical SMILES for 2-ethenyloxolan-3-amine is C=CC1OCCC1N.
What is the InChIKey of 2-ethenyloxolan-3-amine?
The InChIKey is MNJYWTHQNUBTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2.
What are the key properties of 2-ethenyloxolan-3-amine?
2-ethenyloxolan-3-amine has a molecular weight of 113.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyloxolan-3-amine is sourced from PubChem (CID 122236250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).