butan-2-one;N-methylacetamide

C7H15NO2 — CID 22118125

IUPACbutan-2-one;N-methylacetamide
SMILESCCC(C)=O.CNC(C)=O
InChIInChI=1S/C4H8O.C3H7NO/c1-3-4(2)5;1-3(5)4-2/h3H2,1-2H3;1-2H3,(H,4,5)
InChIKeyKTKSKPCLGKLXLL-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.74
Rot. Bonds1

About butan-2-one;N-methylacetamide

butan-2-one;N-methylacetamide (PubChem CID 22118125) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is butan-2-one;N-methylacetamide.

Molecular Properties

Compound Namebutan-2-one;N-methylacetamide
PubChem CID22118125
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namebutan-2-one;N-methylacetamide
SMILESCCC(C)=O.CNC(C)=O
InChIInChI=1S/C4H8O.C3H7NO/c1-3-4(2)5;1-3(5)4-2/h3H2,1-2H3;1-2H3,(H,4,5)
InChIKeyKTKSKPCLGKLXLL-UHFFFAOYSA-N
XLogP0.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-2-one;N-methylacetamide?
The IUPAC name of butan-2-one;N-methylacetamide (CID 22118125) is butan-2-one;N-methylacetamide.
What is the SMILES notation for butan-2-one;N-methylacetamide?
The canonical SMILES for butan-2-one;N-methylacetamide is CCC(C)=O.CNC(C)=O.
What is the InChIKey of butan-2-one;N-methylacetamide?
The InChIKey is KTKSKPCLGKLXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C3H7NO/c1-3-4(2)5;1-3(5)4-2/h3H2,1-2H3;1-2H3,(H,4,5).
What are the key properties of butan-2-one;N-methylacetamide?
butan-2-one;N-methylacetamide has a molecular weight of 145.20 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;N-methylacetamide is sourced from PubChem (CID 22118125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).