4-hydroxy-N-methyl-2-methylidenebutanamide

C6H11NO2 — CID 87328938

IUPAC4-hydroxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NC
InChIInChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9)
InChIKeyYCZOQCFBXKTJFC-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.33
Rot. Bonds3

About 4-hydroxy-N-methyl-2-methylidenebutanamide

4-hydroxy-N-methyl-2-methylidenebutanamide (PubChem CID 87328938) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-2-methylidenebutanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-2-methylidenebutanamide
PubChem CID87328938
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-hydroxy-N-methyl-2-methylidenebutanamide
SMILESC=C(CCO)C(=O)NC
InChIInChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9)
InChIKeyYCZOQCFBXKTJFC-UHFFFAOYSA-N
XLogP-0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-2-methylidenebutanamide?
The IUPAC name of 4-hydroxy-N-methyl-2-methylidenebutanamide (CID 87328938) is 4-hydroxy-N-methyl-2-methylidenebutanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-2-methylidenebutanamide?
The canonical SMILES for 4-hydroxy-N-methyl-2-methylidenebutanamide is C=C(CCO)C(=O)NC.
What is the InChIKey of 4-hydroxy-N-methyl-2-methylidenebutanamide?
The InChIKey is YCZOQCFBXKTJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(3-4-8)6(9)7-2/h8H,1,3-4H2,2H3,(H,7,9).
What are the key properties of 4-hydroxy-N-methyl-2-methylidenebutanamide?
4-hydroxy-N-methyl-2-methylidenebutanamide has a molecular weight of 129.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-2-methylidenebutanamide is sourced from PubChem (CID 87328938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).