acetamide;1H-pyrimidin-2-one

C6H9N3O2 — CID 157074749

IUPACacetamide;1H-pyrimidin-2-one
SMILESCC(N)=O.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H5NO/c7-4-5-2-1-3-6-4;1-2(3)4/h1-3H,(H,5,6,7);1H3,(H2,3,4)
InChIKeyACVNPEOATVBOSO-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.74
Rot. Bonds

About acetamide;1H-pyrimidin-2-one

acetamide;1H-pyrimidin-2-one (PubChem CID 157074749) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is acetamide;1H-pyrimidin-2-one.

Molecular Properties

Compound Nameacetamide;1H-pyrimidin-2-one
PubChem CID157074749
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Nameacetamide;1H-pyrimidin-2-one
SMILESCC(N)=O.O=c1nccc[nH]1
InChIInChI=1S/C4H4N2O.C2H5NO/c7-4-5-2-1-3-6-4;1-2(3)4/h1-3H,(H,5,6,7);1H3,(H2,3,4)
InChIKeyACVNPEOATVBOSO-UHFFFAOYSA-N
XLogP-0.74
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetamide;1H-pyrimidin-2-one?
The IUPAC name of acetamide;1H-pyrimidin-2-one (CID 157074749) is acetamide;1H-pyrimidin-2-one.
What is the SMILES notation for acetamide;1H-pyrimidin-2-one?
The canonical SMILES for acetamide;1H-pyrimidin-2-one is CC(N)=O.O=c1nccc[nH]1.
What is the InChIKey of acetamide;1H-pyrimidin-2-one?
The InChIKey is ACVNPEOATVBOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O.C2H5NO/c7-4-5-2-1-3-6-4;1-2(3)4/h1-3H,(H,5,6,7);1H3,(H2,3,4).
What are the key properties of acetamide;1H-pyrimidin-2-one?
acetamide;1H-pyrimidin-2-one has a molecular weight of 155.16 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;1H-pyrimidin-2-one is sourced from PubChem (CID 157074749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).