N-but-1-enylacetamide

C6H11NO — CID 54266102

IUPACN-but-1-enylacetamide
SMILESCCC=CNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyPJOOLUFQUNQIBE-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.05
Rot. Bonds2

About N-but-1-enylacetamide

N-but-1-enylacetamide (PubChem CID 54266102) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-but-1-enylacetamide.

Molecular Properties

Compound NameN-but-1-enylacetamide
PubChem CID54266102
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-but-1-enylacetamide
SMILESCCC=CNC(C)=O
InChIInChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyPJOOLUFQUNQIBE-UHFFFAOYSA-N
XLogP1.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-1-enylacetamide?
The IUPAC name of N-but-1-enylacetamide (CID 54266102) is N-but-1-enylacetamide.
What is the SMILES notation for N-but-1-enylacetamide?
The canonical SMILES for N-but-1-enylacetamide is CCC=CNC(C)=O.
What is the InChIKey of N-but-1-enylacetamide?
The InChIKey is PJOOLUFQUNQIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5-7-6(2)8/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of N-but-1-enylacetamide?
N-but-1-enylacetamide has a molecular weight of 113.16 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-enylacetamide is sourced from PubChem (CID 54266102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).