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

C7H13NO — CID 124709869

IUPAC(2S,3S)-2-ethenyloxan-3-amine
SMILESC=C[C@@H]1OCCC[C@@H]1N
InChIInChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2/t6-,7-/m0/s1
InChIKeyPNTQMYFDQAIZFP-BQBZGAKWSA-N
MW127.19 g/mol
LogP0.68
Rot. Bonds1

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

(2S,3S)-2-ethenyloxan-3-amine (PubChem CID 124709869) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (2S,3S)-2-ethenyloxan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-ethenyloxan-3-amine
PubChem CID124709869
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(2S,3S)-2-ethenyloxan-3-amine
SMILESC=C[C@@H]1OCCC[C@@H]1N
InChIInChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2/t6-,7-/m0/s1
InChIKeyPNTQMYFDQAIZFP-BQBZGAKWSA-N
XLogP0.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.68
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,4R)-2-ethenyloxan-4-amine
CID 137951654
2-[(E)-oct-1-enyl]oxan-3-amine
CID 21753848
2-[(E)-non-1-enyl]oxan-3-amine
CID 21753887
2-Methyl-5-methylideneoxan-3-amine
CID 91189473
2-Ethenyl-5-methylideneoxan-3-amine
CID 123404644
(2R,3S)-2-methyl-5-methylideneoxan-3-amine
CID 129045574
(2R)-2-methyl-5-methylideneoxan-3-amine
CID 143571364
rac-(2R,3S)-2-ethenyloxan-3-amine hydrochloride
CID 121552623
rac-(2R,3S)-2-ethenyloxan-3-amine
CID 121552624
2-Ethenyloxan-3-amine hydrochloride
CID 122236366
2-Ethenyloxan-3-amine
CID 122236367
(2R,3S)-2-ethenyloxan-3-amine
CID 124709870

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyloxan-3-amine?
The IUPAC name of (2S,3S)-2-ethenyloxan-3-amine (CID 124709869) is (2S,3S)-2-ethenyloxan-3-amine.
What is the SMILES notation for (2S,3S)-2-ethenyloxan-3-amine?
The canonical SMILES for (2S,3S)-2-ethenyloxan-3-amine is C=C[C@@H]1OCCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-ethenyloxan-3-amine?
The InChIKey is PNTQMYFDQAIZFP-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-7-6(8)4-3-5-9-7/h2,6-7H,1,3-5,8H2/t6-,7-/m0/s1.
What are the key properties of (2S,3S)-2-ethenyloxan-3-amine?
(2S,3S)-2-ethenyloxan-3-amine has a molecular weight of 127.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethenyloxan-3-amine is sourced from PubChem (CID 124709869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).