ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate

C14H18N2O4 — CID 10588638

IUPACethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCC(n2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-3-20-13(18)10-4-6-11(7-5-10)16-8-9(2)12(17)15-14(16)19/h4,8,11H,3,5-7H2,1-2H3,(H,15,17,19)
InChIKeyWYPPFXKLZRIMKO-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds3

About ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate

ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate (PubChem CID 10588638) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate
PubChem CID10588638
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Nameethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate
SMILESCCOC(=O)C1=CCC(n2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O4/c1-3-20-13(18)10-4-6-11(7-5-10)16-8-9(2)12(17)15-14(16)19/h4,8,11H,3,5-7H2,1-2H3,(H,15,17,19)
InChIKeyWYPPFXKLZRIMKO-UHFFFAOYSA-N
XLogP1.06
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate 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 ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate?
The IUPAC name of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate (CID 10588638) is ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate?
The canonical SMILES for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate is CCOC(=O)C1=CCC(n2cc(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate?
The InChIKey is WYPPFXKLZRIMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-20-13(18)10-4-6-11(7-5-10)16-8-9(2)12(17)15-14(16)19/h4,8,11H,3,5-7H2,1-2H3,(H,15,17,19).
What are the key properties of ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate?
ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclohexene-1-carboxylate is sourced from PubChem (CID 10588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).