butane;N-methylacetamide

C7H17NO — CID 90774894

IUPACbutane;N-methylacetamide
SMILESCCCC.CNC(C)=O
InChIInChI=1S/C4H10.C3H7NO/c1-3-4-2;1-3(5)4-2/h3-4H2,1-2H3;1-2H3,(H,4,5)
InChIKeyCLVSFYIBUWNLGW-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.56
Rot. Bonds1

About butane;N-methylacetamide

butane;N-methylacetamide (PubChem CID 90774894) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is butane;N-methylacetamide.

Molecular Properties

Compound Namebutane;N-methylacetamide
PubChem CID90774894
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Namebutane;N-methylacetamide
SMILESCCCC.CNC(C)=O
InChIInChI=1S/C4H10.C3H7NO/c1-3-4-2;1-3(5)4-2/h3-4H2,1-2H3;1-2H3,(H,4,5)
InChIKeyCLVSFYIBUWNLGW-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;N-methylacetamide?
The IUPAC name of butane;N-methylacetamide (CID 90774894) is butane;N-methylacetamide.
What is the SMILES notation for butane;N-methylacetamide?
The canonical SMILES for butane;N-methylacetamide is CCCC.CNC(C)=O.
What is the InChIKey of butane;N-methylacetamide?
The InChIKey is CLVSFYIBUWNLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7NO/c1-3-4-2;1-3(5)4-2/h3-4H2,1-2H3;1-2H3,(H,4,5).
What are the key properties of butane;N-methylacetamide?
butane;N-methylacetamide has a molecular weight of 131.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-methylacetamide is sourced from PubChem (CID 90774894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).