ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate

C12H13FN2O4 — CID 11471157

IUPACethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(F)C/C1=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H13FN2O4/c1-3-19-10(17)12(13)4-8(12)6-15-5-7(2)9(16)14-11(15)18/h5-6H,3-4H2,1-2H3,(H,14,16,18)/b8-6-
InChIKeyWEDFWNYUPOKVGZ-VURMDHGXSA-N
MW268.24 g/mol
LogP0.36
Rot. Bonds3

About ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate

ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate (PubChem CID 11471157) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
PubChem CID11471157
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Nameethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(F)C/C1=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H13FN2O4/c1-3-19-10(17)12(13)4-8(12)6-15-5-7(2)9(16)14-11(15)18/h5-6H,3-4H2,1-2H3,(H,14,16,18)/b8-6-
InChIKeyWEDFWNYUPOKVGZ-VURMDHGXSA-N
XLogP0.36
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The IUPAC name of ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate (CID 11471157) is ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate is CCOC(=O)C1(F)C/C1=C/n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The InChIKey is WEDFWNYUPOKVGZ-VURMDHGXSA-N. The full InChI is InChI=1S/C12H13FN2O4/c1-3-19-10(17)12(13)4-8(12)6-15-5-7(2)9(16)14-11(15)18/h5-6H,3-4H2,1-2H3,(H,14,16,18)/b8-6-.
What are the key properties of ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate has a molecular weight of 268.24 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-1-fluoro-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate is sourced from PubChem (CID 11471157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).