N-(2,3-dihydroxyhex-5-enyl)acetamide

C8H15NO3 — CID 174926163

IUPACN-(2,3-dihydroxyhex-5-enyl)acetamide
SMILESC=CCC(O)C(O)CNC(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-7(11)8(12)5-9-6(2)10/h3,7-8,11-12H,1,4-5H2,2H3,(H,9,10)
InChIKeyIODRTLUDGXNRDE-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.58
Rot. Bonds5

About N-(2,3-dihydroxyhex-5-enyl)acetamide

N-(2,3-dihydroxyhex-5-enyl)acetamide (PubChem CID 174926163) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is N-(2,3-dihydroxyhex-5-enyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxyhex-5-enyl)acetamide
PubChem CID174926163
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC NameN-(2,3-dihydroxyhex-5-enyl)acetamide
SMILESC=CCC(O)C(O)CNC(C)=O
InChIInChI=1S/C8H15NO3/c1-3-4-7(11)8(12)5-9-6(2)10/h3,7-8,11-12H,1,4-5H2,2H3,(H,9,10)
InChIKeyIODRTLUDGXNRDE-UHFFFAOYSA-N
XLogP-0.58
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.58
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

N-(2,3-dihydroxybutyl)acetamide
CID 91533638
N-(1-acetamidobut-3-enyl)acetamide
CID 88635946
3-hydroxy-2-methylhex-5-enoic acid
CID 174792452
N-(3-acetamido-2-methylpropyl)acetamide
CID 20588188
N-[2,3-dihydroxy-4-(hydroxymethyl)hexyl]acetamide
CID 123622831
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
ethane;N-(2-methylpropyl)acetamide
CID 142232237
N-[(2R)-2,3,3-trimethylbutyl]acetamide
CID 59118608
2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide
CID 107221169
3-ethenylhex-5-en-2-one
CID 529432
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3-methylhept-6-ene-2,4-diol
CID 66895376

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxyhex-5-enyl)acetamide?
The IUPAC name of N-(2,3-dihydroxyhex-5-enyl)acetamide (CID 174926163) is N-(2,3-dihydroxyhex-5-enyl)acetamide.
What is the SMILES notation for N-(2,3-dihydroxyhex-5-enyl)acetamide?
The canonical SMILES for N-(2,3-dihydroxyhex-5-enyl)acetamide is C=CCC(O)C(O)CNC(C)=O.
What is the InChIKey of N-(2,3-dihydroxyhex-5-enyl)acetamide?
The InChIKey is IODRTLUDGXNRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-3-4-7(11)8(12)5-9-6(2)10/h3,7-8,11-12H,1,4-5H2,2H3,(H,9,10).
What are the key properties of N-(2,3-dihydroxyhex-5-enyl)acetamide?
N-(2,3-dihydroxyhex-5-enyl)acetamide has a molecular weight of 173.21 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxyhex-5-enyl)acetamide is sourced from PubChem (CID 174926163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).