(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one

C9H10N2O — CID 142390852

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one
SMILESC=C/C=c1/c(=O)[nH]cn/c1=C/C
InChIInChI=1S/C9H10N2O/c1-3-5-7-8(4-2)10-6-11-9(7)12/h3-6H,1H2,2H3,(H,10,11,12)/b7-5+,8-4+
InChIKeyLAOLGOHIPKXVJE-JBVHCYJISA-N
MW162.19 g/mol
LogP-0.46
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one

(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one (PubChem CID 142390852) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one
PubChem CID142390852
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one
SMILESC=C/C=c1/c(=O)[nH]cn/c1=C/C
InChIInChI=1S/C9H10N2O/c1-3-5-7-8(4-2)10-6-11-9(7)12/h3-6H,1H2,2H3,(H,10,11,12)/b7-5+,8-4+
InChIKeyLAOLGOHIPKXVJE-JBVHCYJISA-N
XLogP-0.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one (CID 142390852) is (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one is C=C/C=c1/c(=O)[nH]cn/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one?
The InChIKey is LAOLGOHIPKXVJE-JBVHCYJISA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-5-7-8(4-2)10-6-11-9(7)12/h3-6H,1H2,2H3,(H,10,11,12)/b7-5+,8-4+.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one?
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one has a molecular weight of 162.19 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrimidin-6-one is sourced from PubChem (CID 142390852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).