N-(5-hydroxypentyl)but-3-enamide

C9H17NO2 — CID 107318491

IUPACN-(5-hydroxypentyl)but-3-enamide
SMILESC=CCC(=O)NCCCCCO
InChIInChI=1S/C9H17NO2/c1-2-6-9(12)10-7-4-3-5-8-11/h2,11H,1,3-8H2,(H,10,12)
InChIKeyVQNDHUXNZUEXTK-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds7

About N-(5-hydroxypentyl)but-3-enamide

N-(5-hydroxypentyl)but-3-enamide (PubChem CID 107318491) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(5-hydroxypentyl)but-3-enamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)but-3-enamide
PubChem CID107318491
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-(5-hydroxypentyl)but-3-enamide
SMILESC=CCC(=O)NCCCCCO
InChIInChI=1S/C9H17NO2/c1-2-6-9(12)10-7-4-3-5-8-11/h2,11H,1,3-8H2,(H,10,12)
InChIKeyVQNDHUXNZUEXTK-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
2-chloro-N-(8-hydroxyoctyl)acetamide;ethane
CID 142307280
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792
4-(6-hydroxyhexylamino)-4-oxobutanoic acid
CID 82675255
2-amino-N-(6-hydroxyhexyl)pent-4-enamide
CID 107842505
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
CID 170598419
CID 170598419
2-(dimethylamino)-N-(8-hydroxyoctyl)acetamide
CID 154671930

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)but-3-enamide?
The IUPAC name of N-(5-hydroxypentyl)but-3-enamide (CID 107318491) is N-(5-hydroxypentyl)but-3-enamide.
What is the SMILES notation for N-(5-hydroxypentyl)but-3-enamide?
The canonical SMILES for N-(5-hydroxypentyl)but-3-enamide is C=CCC(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)but-3-enamide?
The InChIKey is VQNDHUXNZUEXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-6-9(12)10-7-4-3-5-8-11/h2,11H,1,3-8H2,(H,10,12).
What are the key properties of N-(5-hydroxypentyl)but-3-enamide?
N-(5-hydroxypentyl)but-3-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)but-3-enamide is sourced from PubChem (CID 107318491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).