2-hydroxy-N-(3-methylbut-2-enyl)propanamide

C8H15NO2 — CID 91067648

IUPAC2-hydroxy-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h4,7,10H,5H2,1-3H3,(H,9,11)
InChIKeyCXYQVWCXYAQEBK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.45
Rot. Bonds3

About 2-hydroxy-N-(3-methylbut-2-enyl)propanamide

2-hydroxy-N-(3-methylbut-2-enyl)propanamide (PubChem CID 91067648) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylbut-2-enyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylbut-2-enyl)propanamide
PubChem CID91067648
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-hydroxy-N-(3-methylbut-2-enyl)propanamide
SMILESCC(C)=CCNC(=O)C(C)O
InChIInChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h4,7,10H,5H2,1-3H3,(H,9,11)
InChIKeyCXYQVWCXYAQEBK-UHFFFAOYSA-N
XLogP0.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.45
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 2-hydroxy-N-(3-methylbut-2-enyl)propanamide?
The IUPAC name of 2-hydroxy-N-(3-methylbut-2-enyl)propanamide (CID 91067648) is 2-hydroxy-N-(3-methylbut-2-enyl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylbut-2-enyl)propanamide?
The canonical SMILES for 2-hydroxy-N-(3-methylbut-2-enyl)propanamide is CC(C)=CCNC(=O)C(C)O.
What is the InChIKey of 2-hydroxy-N-(3-methylbut-2-enyl)propanamide?
The InChIKey is CXYQVWCXYAQEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)4-5-9-8(11)7(3)10/h4,7,10H,5H2,1-3H3,(H,9,11).
What are the key properties of 2-hydroxy-N-(3-methylbut-2-enyl)propanamide?
2-hydroxy-N-(3-methylbut-2-enyl)propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylbut-2-enyl)propanamide is sourced from PubChem (CID 91067648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).