N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide

C11H21NO3 — CID 123574183

IUPACN-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
SMILESC=CC(CCNC(=O)CC)CC(O)CO
InChIInChI=1S/C11H21NO3/c1-3-9(7-10(14)8-13)5-6-12-11(15)4-2/h3,9-10,13-14H,1,4-8H2,2H3,(H,12,15)
InChIKeyLLWBGTJXGCJSSI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.45
Rot. Bonds8

About N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide

N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide (PubChem CID 123574183) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide.

Molecular Properties

Compound NameN-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
PubChem CID123574183
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(3-ethenyl-5,6-dihydroxyhexyl)propanamide
SMILESC=CC(CCNC(=O)CC)CC(O)CO
InChIInChI=1S/C11H21NO3/c1-3-9(7-10(14)8-13)5-6-12-11(15)4-2/h3,9-10,13-14H,1,4-8H2,2H3,(H,12,15)
InChIKeyLLWBGTJXGCJSSI-UHFFFAOYSA-N
XLogP0.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 88887571
N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 90783309
N-(2-ethenyl-3,4,5,6-tetrahydroxyhexyl)propanamide
CID 123413276
N-(3-ethenyl-2,4,5,6-tetrahydroxyhexyl)propanamide
CID 123724343
(7R,8S)-N-ethyl-8-hydroxy-7-methylnon-3-enamide
CID 123807803
N-(4-ethyl-5,6-dihydroxyhexyl)propanamide
CID 123890135
N-[(2R,4R)-4-[(1S)-1,2-dihydroxyethyl]-2-methylhex-5-enyl]propanamide
CID 132255297
N-[(2S,4S,5S)-2-ethenyl-4-formyl-5,6-dihydroxyhexyl]propanamide
CID 132255302
N-(5,6-dihydroxy-4-methylhexyl)-2-methylprop-2-enamide
CID 140292267
(2S)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002372
(2R)-2-(3-hydroxypropyl)-N-methylpent-4-enamide
CID 141002378
N-[(3R,5S)-3-ethenyl-5,6-dihydroxyhexyl]propanamide
CID 145541382

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide?
The IUPAC name of N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide (CID 123574183) is N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide.
What is the SMILES notation for N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide?
The canonical SMILES for N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide is C=CC(CCNC(=O)CC)CC(O)CO.
What is the InChIKey of N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide?
The InChIKey is LLWBGTJXGCJSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(7-10(14)8-13)5-6-12-11(15)4-2/h3,9-10,13-14H,1,4-8H2,2H3,(H,12,15).
What are the key properties of N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide?
N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide has a molecular weight of 215.29 g/mol, XLogP of 0.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-5,6-dihydroxyhexyl)propanamide is sourced from PubChem (CID 123574183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).