1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione

C15H20N2O4 — CID 1399143

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O4/c1-2-11(18)12-13(19)16-15(21)17(14(12)20)9-8-10-6-4-3-5-7-10/h6,20H,2-5,7-9H2,1H3,(H,16,19,21)
InChIKeyMQGBPMIBZCMESU-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.73
Rot. Bonds5

About 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione

1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione (PubChem CID 1399143) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione
PubChem CID1399143
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N2O4/c1-2-11(18)12-13(19)16-15(21)17(14(12)20)9-8-10-6-4-3-5-7-10/h6,20H,2-5,7-9H2,1H3,(H,16,19,21)
InChIKeyMQGBPMIBZCMESU-UHFFFAOYSA-N
XLogP1.73
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione with MolForge

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Related Compounds

1-Cycloheptyl-6-hydroxy-5-propanoylpyrimidine-2,4-dione
CID 662685
1-allyl-5-heptanoyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
CID 663021
3-[2-(Cyclohexen-1-yl)ethyl]-2,6-dioxo-5-propanoylpyrimidin-4-olate
CID 1399142
5-Acetyl-3-[2-(cyclohexen-1-yl)ethyl]-2,6-dioxopyrimidin-4-olate
CID 1402799
5-Acetyl-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
CID 1402800
5-acetyl-1-hexyl-6-hydroxypyrimidine-2,4(1H,3H)-dione
CID 1634477
6-hydroxy-1-methyl-5-tetradecanoylpyrimidine-2,4(1H,3H)-dione
CID 4259568
1-cyclohexyl-6-hydroxy-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 16414637
2,6-Dioxo-5-propanoyl-1-(prop-2-en-1-yl)-1,2,3,6-tetrahydropyrimidin-4-olate
CID 16475614
6-Hydroxy-5-propanoyl-1-prop-2-enylpyrimidine-2,4-dione
CID 16475615
1-[2-(Cyclopenten-1-yl)ethyl]-6-hydroxy-5-propan-2-ylpyrimidine-2,4-dione
CID 106172215
1-[2-(Cyclopenten-1-yl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 106172229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione (CID 1399143) is 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione is CCC(=O)c1c(O)n(CCC2=CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
The InChIKey is MQGBPMIBZCMESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-11(18)12-13(19)16-15(21)17(14(12)20)9-8-10-6-4-3-5-7-10/h6,20H,2-5,7-9H2,1H3,(H,16,19,21).
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione?
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione has a molecular weight of 292.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 1399143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).