N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide

C11H19NO3 — CID 170744979

IUPACN-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide
SMILESC=C=CCC(=O)NCCCC[C@H](O)CO
InChIInChI=1S/C11H19NO3/c1-2-3-7-11(15)12-8-5-4-6-10(14)9-13/h3,10,13-14H,1,4-9H2,(H,12,15)/t10-/m0/s1
InChIKeyOXEIGFIRZLZNAV-JTQLQIEISA-N
MW213.28 g/mol
LogP0.36
Rot. Bonds8

About N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide

N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide (PubChem CID 170744979) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide.

Molecular Properties

Compound NameN-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide
PubChem CID170744979
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide
SMILESC=C=CCC(=O)NCCCC[C@H](O)CO
InChIInChI=1S/C11H19NO3/c1-2-3-7-11(15)12-8-5-4-6-10(14)9-13/h3,10,13-14H,1,4-9H2,(H,12,15)/t10-/m0/s1
InChIKeyOXEIGFIRZLZNAV-JTQLQIEISA-N
XLogP0.36
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide?
The IUPAC name of N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide (CID 170744979) is N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide.
What is the SMILES notation for N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide?
The canonical SMILES for N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide is C=C=CCC(=O)NCCCC[C@H](O)CO.
What is the InChIKey of N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide?
The InChIKey is OXEIGFIRZLZNAV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3/c1-2-3-7-11(15)12-8-5-4-6-10(14)9-13/h3,10,13-14H,1,4-9H2,(H,12,15)/t10-/m0/s1.
What are the key properties of N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide?
N-[(5S)-5,6-dihydroxyhexyl]penta-3,4-dienamide has a molecular weight of 213.28 g/mol, XLogP of 0.36, 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]penta-3,4-dienamide is sourced from PubChem (CID 170744979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).