4-hydroxy-N-prop-2-enylbutanamide

C7H13NO2 — CID 55286226

IUPAC4-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCO
InChIInChI=1S/C7H13NO2/c1-2-5-8-7(10)4-3-6-9/h2,9H,1,3-6H2,(H,8,10)
InChIKeyOFXIALAHTFIJEJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.06
Rot. Bonds5

About 4-hydroxy-N-prop-2-enylbutanamide

4-hydroxy-N-prop-2-enylbutanamide (PubChem CID 55286226) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-hydroxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-hydroxy-N-prop-2-enylbutanamide
PubChem CID55286226
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-hydroxy-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)CCCO
InChIInChI=1S/C7H13NO2/c1-2-5-8-7(10)4-3-6-9/h2,9H,1,3-6H2,(H,8,10)
InChIKeyOFXIALAHTFIJEJ-UHFFFAOYSA-N
XLogP0.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(prop-2-enylamino)butanoic acid
CID 5157666
N-prop-2-enyloctanamide
CID 4071942
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
N-(3-hydroxypropyl)-N'-prop-2-enyloxamide
CID 3099196
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
2-phosphanyl-N-prop-2-enylacetamide
CID 88653876
4-(diaminomethylideneamino)-N-prop-2-enylbutanamide;hydrochloride
CID 44522987
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
(Z)-N-prop-2-enyloctadec-9-enamide
CID 10805746

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-prop-2-enylbutanamide?
The IUPAC name of 4-hydroxy-N-prop-2-enylbutanamide (CID 55286226) is 4-hydroxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-hydroxy-N-prop-2-enylbutanamide?
The canonical SMILES for 4-hydroxy-N-prop-2-enylbutanamide is C=CCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-prop-2-enylbutanamide?
The InChIKey is OFXIALAHTFIJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-5-8-7(10)4-3-6-9/h2,9H,1,3-6H2,(H,8,10).
What are the key properties of 4-hydroxy-N-prop-2-enylbutanamide?
4-hydroxy-N-prop-2-enylbutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 55286226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).