1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione

C11H14N2O3 — CID 11264529

IUPAC1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C2\CCC2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-6-13(11(16)12-10(7)15)5-4-8-2-3-9(8)14/h4,6,9,14H,2-3,5H2,1H3,(H,12,15,16)/b8-4+
InChIKeyAGUVXAPOGGTHEK-XBXARRHUSA-N
MW222.24 g/mol
LogP-0.07
Rot. Bonds2

About 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione

1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione (PubChem CID 11264529) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
PubChem CID11264529
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C2\CCC2O)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c1-7-6-13(11(16)12-10(7)15)5-4-8-2-3-9(8)14/h4,6,9,14H,2-3,5H2,1H3,(H,12,15,16)/b8-4+
InChIKeyAGUVXAPOGGTHEK-XBXARRHUSA-N
XLogP-0.07
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 102145297
1-[(E)-but-2-enyl]-5-methylpyrimidine-2,4-dione
CID 65438358
1-[(E)-5-fluoro-3-(hydroxymethyl)pent-2-enyl]-5-methylpyrimidine-2,4-dione
CID 70964470
1-[(Z)-3-[hydroxymethyl(dimethyl)silyl]prop-2-enyl]-5-methylpyrimidine-2,4-dione
CID 15405094
1-[[(1S,2R,4R)-2-hydroxy-4-(hydroxymethyl)cyclobutyl]methyl]-5-methylpyrimidine-2,4-dione
CID 11447810
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
amino-dimethyl-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]azanium
CID 20676015
1-[[(1S,2S,4S,7R)-2-chloro-5-hydroxy-7-bicyclo[2.2.1]heptanyl]methyl]-5-methylpyrimidine-2,4-dione
CID 158504531
N-cyclohexyl-N-[(5-methyl-2,4-dioxopyrimidin-1-yl)methyl]acetamide
CID 102374659
1-[[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 10801040
N-cycloheptyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60734726

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione (CID 11264529) is 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C/C=C2\CCC2O)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is AGUVXAPOGGTHEK-XBXARRHUSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-6-13(11(16)12-10(7)15)5-4-8-2-3-9(8)14/h4,6,9,14H,2-3,5H2,1H3,(H,12,15,16)/b8-4+.
What are the key properties of 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione?
1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 222.24 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(2-hydroxycyclobutylidene)ethyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11264529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).