1-prop-1-en-2-ylpyrimidin-2-one

C7H8N2O — CID 169202708

IUPAC1-prop-1-en-2-ylpyrimidin-2-one
SMILESC=C(C)n1cccnc1=O
InChIInChI=1S/C7H8N2O/c1-6(2)9-5-3-4-8-7(9)10/h3-5H,1H2,2H3
InChIKeyNUGBEDUJDGSSLI-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.73
Rot. Bonds1

About 1-prop-1-en-2-ylpyrimidin-2-one

1-prop-1-en-2-ylpyrimidin-2-one (PubChem CID 169202708) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-prop-1-en-2-ylpyrimidin-2-one.

Molecular Properties

Compound Name1-prop-1-en-2-ylpyrimidin-2-one
PubChem CID169202708
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-prop-1-en-2-ylpyrimidin-2-one
SMILESC=C(C)n1cccnc1=O
InChIInChI=1S/C7H8N2O/c1-6(2)9-5-3-4-8-7(9)10/h3-5H,1H2,2H3
InChIKeyNUGBEDUJDGSSLI-UHFFFAOYSA-N
XLogP0.73
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylpyrimidin-2-one?
The IUPAC name of 1-prop-1-en-2-ylpyrimidin-2-one (CID 169202708) is 1-prop-1-en-2-ylpyrimidin-2-one.
What is the SMILES notation for 1-prop-1-en-2-ylpyrimidin-2-one?
The canonical SMILES for 1-prop-1-en-2-ylpyrimidin-2-one is C=C(C)n1cccnc1=O.
What is the InChIKey of 1-prop-1-en-2-ylpyrimidin-2-one?
The InChIKey is NUGBEDUJDGSSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c1-6(2)9-5-3-4-8-7(9)10/h3-5H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-ylpyrimidin-2-one?
1-prop-1-en-2-ylpyrimidin-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylpyrimidin-2-one is sourced from PubChem (CID 169202708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).