N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide

C12H23NO2 — CID 54753229

IUPACN-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
SMILESCCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C12H23NO2/c1-4-5-6-7-8-9-12(15)10(2)13-11(3)14/h7-8,10,12,15H,4-6,9H2,1-3H3,(H,13,14)/b8-7+/t10-,12+/m0/s1
InChIKeyUQCCVHCEIQSNJC-PXYQHZOESA-N
MW213.32 g/mol
LogP2.01
Rot. Bonds7

About N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide

N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide (PubChem CID 54753229) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
PubChem CID54753229
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide
SMILESCCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O
InChIInChI=1S/C12H23NO2/c1-4-5-6-7-8-9-12(15)10(2)13-11(3)14/h7-8,10,12,15H,4-6,9H2,1-3H3,(H,13,14)/b8-7+/t10-,12+/m0/s1
InChIKeyUQCCVHCEIQSNJC-PXYQHZOESA-N
XLogP2.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(E,2S,3R)-3-hydroxynonadec-5-en-2-yl]acetamide
CID 54753225
N-[(2S,3S,5E,7E)-3-hydroxytetradeca-5,7-dien-2-yl]acetamide
CID 14235828
(E,2R)-non-4-en-2-ol
CID 131232400
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
methyl (E,3S)-3-hydroxydec-5-enoate
CID 642276
(E)-dec-5-en-3-ol
CID 21493231
N-[(2S,3R)-1,3-dihydroxyoctadec-5-en-2-yl]octadec-3-enamide
CID 154573065
(E)-2-propan-2-ylnon-4-enoate
CID 90471183
2-[(Z)-oct-2-enyl]propanedioic acid
CID 156873558
(2S,3S)-3-hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid
CID 95789909
(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
(E)-heptadec-9-ene-6,7-diol
CID 173310595

Frequently Asked Questions

What is the IUPAC name of N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide?
The IUPAC name of N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide (CID 54753229) is N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide.
What is the SMILES notation for N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide?
The canonical SMILES for N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide is CCCC/C=C/C[C@@H](O)[C@H](C)NC(C)=O.
What is the InChIKey of N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide?
The InChIKey is UQCCVHCEIQSNJC-PXYQHZOESA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-6-7-8-9-12(15)10(2)13-11(3)14/h7-8,10,12,15H,4-6,9H2,1-3H3,(H,13,14)/b8-7+/t10-,12+/m0/s1.
What are the key properties of N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide?
N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide has a molecular weight of 213.32 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2S,3R)-3-hydroxydec-5-en-2-yl]acetamide is sourced from PubChem (CID 54753229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).