acetamide;hydrate

C2H7NO2 — CID 22673283

IUPACacetamide;hydrate
SMILESCC(N)=O.O
InChIInChI=1S/C2H5NO.H2O/c1-2(3)4;/h1H3,(H2,3,4);1H2
InChIKeyUATOFRZSCHRPBG-UHFFFAOYSA-N
MW77.08 g/mol
LogP-1.33
Rot. Bonds

About acetamide;hydrate

acetamide;hydrate (PubChem CID 22673283) has the molecular formula C2H7NO2 and a molecular weight of 77.08 g/mol. Its IUPAC name is acetamide;hydrate.

Molecular Properties

Compound Nameacetamide;hydrate
PubChem CID22673283
Molecular FormulaC2H7NO2
Molecular Weight77.08 g/mol
Exact Mass77.05
IUPAC Nameacetamide;hydrate
SMILESCC(N)=O.O
InChIInChI=1S/C2H5NO.H2O/c1-2(3)4;/h1H3,(H2,3,4);1H2
InChIKeyUATOFRZSCHRPBG-UHFFFAOYSA-N
XLogP-1.33
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.08
LogP ≤ 5-1.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetamide;hydrate?
The IUPAC name of acetamide;hydrate (CID 22673283) is acetamide;hydrate.
What is the SMILES notation for acetamide;hydrate?
The canonical SMILES for acetamide;hydrate is CC(N)=O.O.
What is the InChIKey of acetamide;hydrate?
The InChIKey is UATOFRZSCHRPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO.H2O/c1-2(3)4;/h1H3,(H2,3,4);1H2.
What are the key properties of acetamide;hydrate?
acetamide;hydrate has a molecular weight of 77.08 g/mol, XLogP of -1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;hydrate is sourced from PubChem (CID 22673283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).