(3R,4S)-4-ethenyloxolan-3-amine

C6H11NO — CID 130871659

IUPAC(3R,4S)-4-ethenyloxolan-3-amine
SMILESC=C[C@@H]1COC[C@@H]1N
InChIInChI=1S/C6H11NO/c1-2-5-3-8-4-6(5)7/h2,5-6H,1,3-4,7H2/t5-,6+/m1/s1
InChIKeyRKOZFBZNJXHLOQ-RITPCOANSA-N
MW113.16 g/mol
LogP0.15
Rot. Bonds1

About (3R,4S)-4-ethenyloxolan-3-amine

(3R,4S)-4-ethenyloxolan-3-amine (PubChem CID 130871659) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3R,4S)-4-ethenyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-ethenyloxolan-3-amine
PubChem CID130871659
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3R,4S)-4-ethenyloxolan-3-amine
SMILESC=C[C@@H]1COC[C@@H]1N
InChIInChI=1S/C6H11NO/c1-2-5-3-8-4-6(5)7/h2,5-6H,1,3-4,7H2/t5-,6+/m1/s1
InChIKeyRKOZFBZNJXHLOQ-RITPCOANSA-N
XLogP0.15
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 ≤ 50.15
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 (3R,4S)-4-ethenyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-ethenyloxolan-3-amine (CID 130871659) is (3R,4S)-4-ethenyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-ethenyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-ethenyloxolan-3-amine is C=C[C@@H]1COC[C@@H]1N.
What is the InChIKey of (3R,4S)-4-ethenyloxolan-3-amine?
The InChIKey is RKOZFBZNJXHLOQ-RITPCOANSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-5-3-8-4-6(5)7/h2,5-6H,1,3-4,7H2/t5-,6+/m1/s1.
What are the key properties of (3R,4S)-4-ethenyloxolan-3-amine?
(3R,4S)-4-ethenyloxolan-3-amine has a molecular weight of 113.16 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethenyloxolan-3-amine is sourced from PubChem (CID 130871659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).