5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one

C9H10N2O — CID 137069360

IUPAC5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=Cc1c(C(=C)C)nc[nH]c1=O
InChIInChI=1S/C9H10N2O/c1-4-7-8(6(2)3)10-5-11-9(7)12/h4-5H,1-2H2,3H3,(H,10,11,12)
InChIKeyPHIAIVYWUPWAMQ-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.45
Rot. Bonds2

About 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one

5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one (PubChem CID 137069360) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one
PubChem CID137069360
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one
SMILESC=Cc1c(C(=C)C)nc[nH]c1=O
InChIInChI=1S/C9H10N2O/c1-4-7-8(6(2)3)10-5-11-9(7)12/h4-5H,1-2H2,3H3,(H,10,11,12)
InChIKeyPHIAIVYWUPWAMQ-UHFFFAOYSA-N
XLogP1.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one (CID 137069360) is 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one is C=Cc1c(C(=C)C)nc[nH]c1=O.
What is the InChIKey of 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
The InChIKey is PHIAIVYWUPWAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-4-7-8(6(2)3)10-5-11-9(7)12/h4-5H,1-2H2,3H3,(H,10,11,12).
What are the key properties of 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one?
5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one has a molecular weight of 162.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-prop-1-en-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137069360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).