(2S,3S)-2-ethenyloxolan-3-amine;hydrochloride

C6H12ClNO — CID 155905538

IUPAC(2S,3S)-2-ethenyloxolan-3-amine;hydrochloride
SMILESC=C[C@@H]1OCC[C@@H]1N.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5(7)3-4-8-6;/h2,5-6H,1,3-4,7H2;1H/t5-,6-;/m0./s1
InChIKeyBWAQJMHAMWXPKL-GEMLJDPKSA-N
MW149.62 g/mol
LogP0.71
Rot. Bonds1

About (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride

(2S,3S)-2-ethenyloxolan-3-amine;hydrochloride (PubChem CID 155905538) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-2-ethenyloxolan-3-amine;hydrochloride
PubChem CID155905538
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name(2S,3S)-2-ethenyloxolan-3-amine;hydrochloride
SMILESC=C[C@@H]1OCC[C@@H]1N.Cl
InChIInChI=1S/C6H11NO.ClH/c1-2-6-5(7)3-4-8-6;/h2,5-6H,1,3-4,7H2;1H/t5-,6-;/m0./s1
InChIKeyBWAQJMHAMWXPKL-GEMLJDPKSA-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'}

Analyze (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(2R,3S)-2-ethenyloxolan-3-amine hydrochloride
CID 121552625
(2S,3R)-2-Vinyltetrahydrofuran-3-amine
CID 121552626
(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
CID 143243344
7-Oxabicyclo[2.2.1]hept-5-en-2-amine hydrochloride
CID 55285406
2-Ethenyloxolan-3-amine hydrochloride
CID 122236249
2-Ethenyloxolan-3-amine
CID 122236250
(2R,3S)-2-ethenyloxolan-3-amine hydrochloride
CID 122236300
(2R,3S)-2-Ethenyloxolan-3-amine
CID 122236301
(2R,3R)-2-Vinyltetrahydrofuran-3-amine
CID 124709598
(2S,3S)-2-Vinyltetrahydrofuran-3-amine
CID 124709599
(2R,3R)-2-Vinyltetrahydrofuran-3-amine hydrochloride
CID 155905567

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride?
The IUPAC name of (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride (CID 155905538) is (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride.
What is the SMILES notation for (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride?
The canonical SMILES for (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride is C=C[C@@H]1OCC[C@@H]1N.Cl.
What is the InChIKey of (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride?
The InChIKey is BWAQJMHAMWXPKL-GEMLJDPKSA-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/t5-,6-;/m0./s1.
What are the key properties of (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride?
(2S,3S)-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 (2S,3S)-2-ethenyloxolan-3-amine;hydrochloride is sourced from PubChem (CID 155905538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).