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

C10H10N2O — CID 137256238

IUPAC(4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one
SMILESC=C/C=c1/nc[nH]c(=O)/c1=C/C=C
InChIInChI=1S/C10H10N2O/c1-3-5-8-9(6-4-2)11-7-12-10(8)13/h3-7H,1-2H2,(H,11,12,13)/b8-5+,9-6+
InChIKeyQFPXPNLGAXJLAW-XVYDYJIPSA-N
MW174.20 g/mol
LogP-0.30
Rot. Bonds2

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

(4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one (PubChem CID 137256238) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one
PubChem CID137256238
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name(4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one
SMILESC=C/C=c1/nc[nH]c(=O)/c1=C/C=C
InChIInChI=1S/C10H10N2O/c1-3-5-8-9(6-4-2)11-7-12-10(8)13/h3-7H,1-2H2,(H,11,12,13)/b8-5+,9-6+
InChIKeyQFPXPNLGAXJLAW-XVYDYJIPSA-N
XLogP-0.30
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one?
The IUPAC name of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one (CID 137256238) is (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one.
What is the SMILES notation for (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one?
The canonical SMILES for (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one is C=C/C=c1/nc[nH]c(=O)/c1=C/C=C.
What is the InChIKey of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one?
The InChIKey is QFPXPNLGAXJLAW-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H10N2O/c1-3-5-8-9(6-4-2)11-7-12-10(8)13/h3-7H,1-2H2,(H,11,12,13)/b8-5+,9-6+.
What are the key properties of (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one?
(4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one has a molecular weight of 174.20 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4,5-bis(prop-2-enylidene)-1H-pyrimidin-6-one is sourced from PubChem (CID 137256238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).