butanamide;hydrochloride

C4H10ClNO — CID 22560754

IUPACbutanamide;hydrochloride
SMILESCCCC(N)=O.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);1H
InChIKeyARUJJNVNLJPSDO-UHFFFAOYSA-N
MW123.58 g/mol
LogP0.69
Rot. Bonds2

About butanamide;hydrochloride

butanamide;hydrochloride (PubChem CID 22560754) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is butanamide;hydrochloride.

Molecular Properties

Compound Namebutanamide;hydrochloride
PubChem CID22560754
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Namebutanamide;hydrochloride
SMILESCCCC(N)=O.Cl
InChIInChI=1S/C4H9NO.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);1H
InChIKeyARUJJNVNLJPSDO-UHFFFAOYSA-N
XLogP0.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butanamide;hydrochloride?
The IUPAC name of butanamide;hydrochloride (CID 22560754) is butanamide;hydrochloride.
What is the SMILES notation for butanamide;hydrochloride?
The canonical SMILES for butanamide;hydrochloride is CCCC(N)=O.Cl.
What is the InChIKey of butanamide;hydrochloride?
The InChIKey is ARUJJNVNLJPSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-2-3-4(5)6;/h2-3H2,1H3,(H2,5,6);1H.
What are the key properties of butanamide;hydrochloride?
butanamide;hydrochloride has a molecular weight of 123.58 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide;hydrochloride is sourced from PubChem (CID 22560754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).