(E)-N-hexyl-3-hydroxybut-2-enamide

C10H19NO2 — CID 144650369

IUPAC(E)-N-hexyl-3-hydroxybut-2-enamide
SMILESCCCCCCNC(=O)/C=C(\C)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-11-10(13)8-9(2)12/h8,12H,3-7H2,1-2H3,(H,11,13)/b9-8+
InChIKeySAWFZIGOJOUEAW-CMDGGOBGSA-N
MW185.27 g/mol
LogP2.14
Rot. Bonds6

About (E)-N-hexyl-3-hydroxybut-2-enamide

(E)-N-hexyl-3-hydroxybut-2-enamide (PubChem CID 144650369) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (E)-N-hexyl-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(E)-N-hexyl-3-hydroxybut-2-enamide
PubChem CID144650369
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(E)-N-hexyl-3-hydroxybut-2-enamide
SMILESCCCCCCNC(=O)/C=C(\C)O
InChIInChI=1S/C10H19NO2/c1-3-4-5-6-7-11-10(13)8-9(2)12/h8,12H,3-7H2,1-2H3,(H,11,13)/b9-8+
InChIKeySAWFZIGOJOUEAW-CMDGGOBGSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;N-hexylprop-2-enamide
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N-heptadecylprop-2-enamide
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(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(Z)-4-(hexylamino)-4-oxobut-2-enoic acid;lanthanum
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N-hexylacetamide
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N-pentadecylacetamide
CID 12009452
acetic acid;N-octylhexacosanamide
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(Z)-N'-decylbut-2-enediamide
CID 87339219
N'-hexylbut-2-enediamide
CID 154301502
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of (E)-N-hexyl-3-hydroxybut-2-enamide?
The IUPAC name of (E)-N-hexyl-3-hydroxybut-2-enamide (CID 144650369) is (E)-N-hexyl-3-hydroxybut-2-enamide.
What is the SMILES notation for (E)-N-hexyl-3-hydroxybut-2-enamide?
The canonical SMILES for (E)-N-hexyl-3-hydroxybut-2-enamide is CCCCCCNC(=O)/C=C(\C)O.
What is the InChIKey of (E)-N-hexyl-3-hydroxybut-2-enamide?
The InChIKey is SAWFZIGOJOUEAW-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-4-5-6-7-11-10(13)8-9(2)12/h8,12H,3-7H2,1-2H3,(H,11,13)/b9-8+.
What are the key properties of (E)-N-hexyl-3-hydroxybut-2-enamide?
(E)-N-hexyl-3-hydroxybut-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hexyl-3-hydroxybut-2-enamide is sourced from PubChem (CID 144650369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).