6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione

C11H14N2O2 — CID 129237383

IUPAC6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESC=Cc1c(/C=C\CC)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-7-9-8(5-2)10(14)13(3)11(15)12-9/h5-7H,2,4H2,1,3H3,(H,12,15)/b7-6-
InChIKeyLCWQLZRKYUNBEE-SREVYHEPSA-N
MW206.24 g/mol
LogP1.14
Rot. Bonds3

About 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione

6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 129237383) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID129237383
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione
SMILESC=Cc1c(/C=C\CC)[nH]c(=O)n(C)c1=O
InChIInChI=1S/C11H14N2O2/c1-4-6-7-9-8(5-2)10(14)13(3)11(15)12-9/h5-7H,2,4H2,1,3H3,(H,12,15)/b7-6-
InChIKeyLCWQLZRKYUNBEE-SREVYHEPSA-N
XLogP1.14
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione (CID 129237383) is 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione is C=Cc1c(/C=C\CC)[nH]c(=O)n(C)c1=O.
What is the InChIKey of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LCWQLZRKYUNBEE-SREVYHEPSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-4-6-7-9-8(5-2)10(14)13(3)11(15)12-9/h5-7H,2,4H2,1,3H3,(H,12,15)/b7-6-.
What are the key properties of 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione?
6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-5-ethenyl-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 129237383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).