1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione

C12H14N2O3 — CID 70910079

IUPAC1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)C2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h5,7H,2-4,6H2,1H3,(H,13,15,17)
InChIKeyPFFVRHFTEDSOJX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.99
Rot. Bonds1

About 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione

1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione (PubChem CID 70910079) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione
PubChem CID70910079
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C(=O)C2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h5,7H,2-4,6H2,1H3,(H,13,15,17)
InChIKeyPFFVRHFTEDSOJX-UHFFFAOYSA-N
XLogP0.99
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
CID 139627493
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
cyclohexen-1-yl(indol-1-yl)methanone
CID 71503982
cyclohexene-1-carboxamide;ethane;molecular hydrogen
CID 162375470
1-[(1E)-cycloocten-1-yl]-2-(4-methylphenyl)ethanone
CID 106651792
1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione
CID 125478927
1-(cyclohexen-1-yl)propane-1,2-dione
CID 68719323
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
cyclohexen-1-yl-(2,4,5-trimethylphenyl)methanone
CID 103449982
1-[(2R,4S,5S)-4-hydroxy-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 1277936
N-oxocycloheptene-1-carboxamide
CID 130462192
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione (CID 70910079) is 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione is Cc1cn(C(=O)C2=CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is PFFVRHFTEDSOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8-7-14(12(17)13-10(8)15)11(16)9-5-3-2-4-6-9/h5,7H,2-4,6H2,1H3,(H,13,15,17).
What are the key properties of 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione?
1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 70910079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).