N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide

C10H19NO3 — CID 146259148

IUPACN-[(5S)-5,6-dihydroxyhexyl]but-3-enamide
SMILESC=CCC(=O)NCCCC[C@H](O)CO
InChIInChI=1S/C10H19NO3/c1-2-5-10(14)11-7-4-3-6-9(13)8-12/h2,9,12-13H,1,3-8H2,(H,11,14)/t9-/m0/s1
InChIKeyXLOIMXIMFORJJG-VIFPVBQESA-N
MW201.27 g/mol
LogP0.20
Rot. Bonds8

About N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide

N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide (PubChem CID 146259148) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide.

Molecular Properties

Compound NameN-[(5S)-5,6-dihydroxyhexyl]but-3-enamide
PubChem CID146259148
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(5S)-5,6-dihydroxyhexyl]but-3-enamide
SMILESC=CCC(=O)NCCCC[C@H](O)CO
InChIInChI=1S/C10H19NO3/c1-2-5-10(14)11-7-4-3-6-9(13)8-12/h2,9,12-13H,1,3-8H2,(H,11,14)/t9-/m0/s1
InChIKeyXLOIMXIMFORJJG-VIFPVBQESA-N
XLogP0.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide?
The IUPAC name of N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide (CID 146259148) is N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide.
What is the SMILES notation for N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide?
The canonical SMILES for N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide is C=CCC(=O)NCCCC[C@H](O)CO.
What is the InChIKey of N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide?
The InChIKey is XLOIMXIMFORJJG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-5-10(14)11-7-4-3-6-9(13)8-12/h2,9,12-13H,1,3-8H2,(H,11,14)/t9-/m0/s1.
What are the key properties of N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide?
N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5,6-dihydroxyhexyl]but-3-enamide is sourced from PubChem (CID 146259148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).