N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C10H17NO4 — CID 174371513

IUPACN-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESC=CC1[C@@H](NC(C)=O)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C10H17NO4/c1-3-7-8(11-6(2)13)5-15-9(4-12)10(7)14/h3,7-10,12,14H,1,4-5H2,2H3,(H,11,13)/t7?,8-,9+,10-/m0/s1
InChIKeyAYPOCTJHTKQBKT-UPBARMNASA-N
MW215.25 g/mol
LogP-0.95
Rot. Bonds3

About N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 174371513) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID174371513
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESC=CC1[C@@H](NC(C)=O)CO[C@H](CO)[C@H]1O
InChIInChI=1S/C10H17NO4/c1-3-7-8(11-6(2)13)5-15-9(4-12)10(7)14/h3,7-10,12,14H,1,4-5H2,2H3,(H,11,13)/t7?,8-,9+,10-/m0/s1
InChIKeyAYPOCTJHTKQBKT-UPBARMNASA-N
XLogP-0.95
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 174371513) is N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is C=CC1[C@@H](NC(C)=O)CO[C@H](CO)[C@H]1O.
What is the InChIKey of N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is AYPOCTJHTKQBKT-UPBARMNASA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-7-8(11-6(2)13)5-15-9(4-12)10(7)14/h3,7-10,12,14H,1,4-5H2,2H3,(H,11,13)/t7?,8-,9+,10-/m0/s1.
What are the key properties of N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 215.25 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S,6R)-4-ethenyl-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 174371513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).