N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide

C7H13NO2 — CID 130179466

IUPACN-(4-hydroxybut-1-en-2-yl)-N-methylacetamide
SMILESC=C(CCO)N(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(4-5-9)8(3)7(2)10/h9H,1,4-5H2,2-3H3
InChIKeySAXDYZLFEUVESP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.36
Rot. Bonds3

About N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide

N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide (PubChem CID 130179466) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-hydroxybut-1-en-2-yl)-N-methylacetamide
PubChem CID130179466
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(4-hydroxybut-1-en-2-yl)-N-methylacetamide
SMILESC=C(CCO)N(C)C(C)=O
InChIInChI=1S/C7H13NO2/c1-6(4-5-9)8(3)7(2)10/h9H,1,4-5H2,2-3H3
InChIKeySAXDYZLFEUVESP-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide?
The IUPAC name of N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide (CID 130179466) is N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide?
The canonical SMILES for N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide is C=C(CCO)N(C)C(C)=O.
What is the InChIKey of N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide?
The InChIKey is SAXDYZLFEUVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(4-5-9)8(3)7(2)10/h9H,1,4-5H2,2-3H3.
What are the key properties of N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide?
N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide has a molecular weight of 143.19 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybut-1-en-2-yl)-N-methylacetamide is sourced from PubChem (CID 130179466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).