2-ethenyloxolan-3-amine;hydrochloride

C6H12ClNO — CID 122236249

IUPAC2-ethenyloxolan-3-amine;hydrochloride
SMILESC=CC1OCCC1N.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5(7)3-4-8-6;/h2,5-6H,1,3-4,7H2;1H
InChIKeyBWAQJMHAMWXPKL-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.71
Rot. Bonds1

About 2-ethenyloxolan-3-amine;hydrochloride

2-ethenyloxolan-3-amine;hydrochloride (PubChem CID 122236249) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-ethenyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name2-ethenyloxolan-3-amine;hydrochloride
PubChem CID122236249
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-ethenyloxolan-3-amine;hydrochloride
SMILESC=CC1OCCC1N.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5(7)3-4-8-6;/h2,5-6H,1,3-4,7H2;1H
InChIKeyBWAQJMHAMWXPKL-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.71
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;hydrochloride?
The IUPAC name of 2-ethenyloxolan-3-amine;hydrochloride (CID 122236249) is 2-ethenyloxolan-3-amine;hydrochloride.
What is the SMILES notation for 2-ethenyloxolan-3-amine;hydrochloride?
The canonical SMILES for 2-ethenyloxolan-3-amine;hydrochloride is C=CC1OCCC1N.Cl.
What is the InChIKey of 2-ethenyloxolan-3-amine;hydrochloride?
The InChIKey is BWAQJMHAMWXPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-2-6-5(7)3-4-8-6;/h2,5-6H,1,3-4,7H2;1H.
What are the key properties of 2-ethenyloxolan-3-amine;hydrochloride?
2-ethenyloxolan-3-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.71, 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;hydrochloride is sourced from PubChem (CID 122236249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).