(3S,4R)-4-(ethenylamino)oxolan-3-ol

C6H11NO2 — CID 155017915

IUPAC(3S,4R)-4-(ethenylamino)oxolan-3-ol
SMILESC=CN[C@@H]1COC[C@H]1O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-9-4-6(5)8/h2,5-8H,1,3-4H2/t5-,6-/m1/s1
InChIKeyKHOCABWDPACKSE-PHDIDXHHSA-N
MW129.16 g/mol
LogP-0.52
Rot. Bonds2

About (3S,4R)-4-(ethenylamino)oxolan-3-ol

(3S,4R)-4-(ethenylamino)oxolan-3-ol (PubChem CID 155017915) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (3S,4R)-4-(ethenylamino)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(ethenylamino)oxolan-3-ol
PubChem CID155017915
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(3S,4R)-4-(ethenylamino)oxolan-3-ol
SMILESC=CN[C@@H]1COC[C@H]1O
InChIInChI=1S/C6H11NO2/c1-2-7-5-3-9-4-6(5)8/h2,5-8H,1,3-4H2/t5-,6-/m1/s1
InChIKeyKHOCABWDPACKSE-PHDIDXHHSA-N
XLogP-0.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(ethenylamino)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(ethenylamino)oxolan-3-ol (CID 155017915) is (3S,4R)-4-(ethenylamino)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(ethenylamino)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(ethenylamino)oxolan-3-ol is C=CN[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-(ethenylamino)oxolan-3-ol?
The InChIKey is KHOCABWDPACKSE-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-5-3-9-4-6(5)8/h2,5-8H,1,3-4H2/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-(ethenylamino)oxolan-3-ol?
(3S,4R)-4-(ethenylamino)oxolan-3-ol has a molecular weight of 129.16 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(ethenylamino)oxolan-3-ol is sourced from PubChem (CID 155017915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).