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

C12H14N2O4 — CID 11253719

IUPACethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C/C1=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-3-18-11(16)9-4-8(9)6-14-5-7(2)10(15)13-12(14)17/h5-6,9H,3-4H2,1-2H3,(H,13,15,17)/b8-6-
InChIKeyDWYWAAONTUTJHG-VURMDHGXSA-N
MW250.25 g/mol
LogP0.27
Rot. Bonds3

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

ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate (PubChem CID 11253719) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
PubChem CID11253719
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Nameethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C/C1=C/n1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-3-18-11(16)9-4-8(9)6-14-5-7(2)10(15)13-12(14)17/h5-6,9H,3-4H2,1-2H3,(H,13,15,17)/b8-6-
InChIKeyDWYWAAONTUTJHG-VURMDHGXSA-N
XLogP0.27
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-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 (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The IUPAC name of ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate (CID 11253719) is ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate is CCOC(=O)C1C/C1=C/n1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
The InChIKey is DWYWAAONTUTJHG-VURMDHGXSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-18-11(16)9-4-8(9)6-14-5-7(2)10(15)13-12(14)17/h5-6,9H,3-4H2,1-2H3,(H,13,15,17)/b8-6-.
What are the key properties of ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate?
ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate has a molecular weight of 250.25 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(5-methyl-2,4-dioxopyrimidin-1-yl)methylidene]cyclopropane-1-carboxylate is sourced from PubChem (CID 11253719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).