N-but-3-enyl-2-hydroxy-N-methylacetamide

C7H13NO2 — CID 89064366

IUPACN-but-3-enyl-2-hydroxy-N-methylacetamide
SMILESC=CCCN(C)C(=O)CO
InChIInChI=1S/C7H13NO2/c1-3-4-5-8(2)7(10)6-9/h3,9H,1,4-6H2,2H3
InChIKeyMYFBYDZGWLADIQ-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.01
Rot. Bonds4

About N-but-3-enyl-2-hydroxy-N-methylacetamide

N-but-3-enyl-2-hydroxy-N-methylacetamide (PubChem CID 89064366) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-but-3-enyl-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-hydroxy-N-methylacetamide
PubChem CID89064366
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-but-3-enyl-2-hydroxy-N-methylacetamide
SMILESC=CCCN(C)C(=O)CO
InChIInChI=1S/C7H13NO2/c1-3-4-5-8(2)7(10)6-9/h3,9H,1,4-6H2,2H3
InChIKeyMYFBYDZGWLADIQ-UHFFFAOYSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
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 N-but-3-enyl-2-hydroxy-N-methylacetamide?
The IUPAC name of N-but-3-enyl-2-hydroxy-N-methylacetamide (CID 89064366) is N-but-3-enyl-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-but-3-enyl-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-but-3-enyl-2-hydroxy-N-methylacetamide is C=CCCN(C)C(=O)CO.
What is the InChIKey of N-but-3-enyl-2-hydroxy-N-methylacetamide?
The InChIKey is MYFBYDZGWLADIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-8(2)7(10)6-9/h3,9H,1,4-6H2,2H3.
What are the key properties of N-but-3-enyl-2-hydroxy-N-methylacetamide?
N-but-3-enyl-2-hydroxy-N-methylacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 89064366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).