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

C6H11NO — CID 124709599

IUPAC(2S,3S)-2-ethenyloxolan-3-amine
SMILESC=C[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2/t5-,6-/m0/s1
InChIKeyMNJYWTHQNUBTIC-WDSKDSINSA-N
MW113.16 g/mol
LogP0.29
Rot. Bonds1

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

(2S,3S)-2-ethenyloxolan-3-amine (PubChem CID 124709599) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2S,3S)-2-ethenyloxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-ethenyloxolan-3-amine
PubChem CID124709599
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2S,3S)-2-ethenyloxolan-3-amine
SMILESC=C[C@@H]1OCC[C@@H]1N
InChIInChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2/t5-,6-/m0/s1
InChIKeyMNJYWTHQNUBTIC-WDSKDSINSA-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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Related Compounds

rac-(2R,3S)-2-ethenyloxolan-3-amine hydrochloride
CID 121552625
(2S,3R)-2-Vinyltetrahydrofuran-3-amine
CID 121552626
7-Oxabicyclo[2.2.1]hept-5-en-2-amine
CID 15476933
2-Methyl-5-methylideneoxolan-3-amine
CID 23403346
[(2R,5S)-5-ethenyloxolan-2-yl]methanamine
CID 117810392
(2S,3R)-2-methyl-4-methylideneoxolan-3-amine
CID 143243344
(5-Ethenyloxolan-2-yl)methanamine
CID 144766179
(1R,4R)-7-oxabicyclo[2.2.1]hept-5-en-2-amine
CID 55285770
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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyloxolan-3-amine?
The IUPAC name of (2S,3S)-2-ethenyloxolan-3-amine (CID 124709599) is (2S,3S)-2-ethenyloxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-ethenyloxolan-3-amine?
The canonical SMILES for (2S,3S)-2-ethenyloxolan-3-amine is C=C[C@@H]1OCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-ethenyloxolan-3-amine?
The InChIKey is MNJYWTHQNUBTIC-WDSKDSINSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6-5(7)3-4-8-6/h2,5-6H,1,3-4,7H2/t5-,6-/m0/s1.
What are the key properties of (2S,3S)-2-ethenyloxolan-3-amine?
(2S,3S)-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 (2S,3S)-2-ethenyloxolan-3-amine is sourced from PubChem (CID 124709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).