4-hydroxy-2-methyl-N-prop-2-enylbutanamide

C8H15NO2 — CID 135038066

IUPAC4-hydroxy-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)CCO
InChIInChI=1S/C8H15NO2/c1-3-5-9-8(11)7(2)4-6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyZQWQWJYHLUJPKA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.31
Rot. Bonds5

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

4-hydroxy-2-methyl-N-prop-2-enylbutanamide (PubChem CID 135038066) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-N-prop-2-enylbutanamide
PubChem CID135038066
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name4-hydroxy-2-methyl-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)C(C)CCO
InChIInChI=1S/C8H15NO2/c1-3-5-9-8(11)7(2)4-6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11)
InChIKeyZQWQWJYHLUJPKA-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 4-hydroxy-2-methyl-N-prop-2-enylbutanamide (CID 135038066) is 4-hydroxy-2-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-hydroxy-2-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 4-hydroxy-2-methyl-N-prop-2-enylbutanamide is C=CCNC(=O)C(C)CCO.
What is the InChIKey of 4-hydroxy-2-methyl-N-prop-2-enylbutanamide?
The InChIKey is ZQWQWJYHLUJPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-9-8(11)7(2)4-6-10/h3,7,10H,1,4-6H2,2H3,(H,9,11).
What are the key properties of 4-hydroxy-2-methyl-N-prop-2-enylbutanamide?
4-hydroxy-2-methyl-N-prop-2-enylbutanamide has a molecular weight of 157.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 135038066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).