sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate

C10H11N2NaO3 — CID 137321514

IUPACsodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate
SMILESCC1(C2C=CCC2)C(=O)N=C([O-])NC1=O.[Na+]
InChIInChI=1S/C10H12N2O3.Na/c1-10(6-4-2-3-5-6)7(13)11-9(15)12-8(10)14;/h2,4,6H,3,5H2,1H3,(H2,11,12,13,14,15);/q;+1/p-1
InChIKeyOFSLDXDHMMWMKB-UHFFFAOYSA-M
MW230.20 g/mol
LogP-3.66
Rot. Bonds1

About sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate

sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate (PubChem CID 137321514) has the molecular formula C10H11N2NaO3 and a molecular weight of 230.20 g/mol. Its IUPAC name is sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate.

Molecular Properties

Compound Namesodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate
PubChem CID137321514
Molecular FormulaC10H11N2NaO3
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namesodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate
SMILESCC1(C2C=CCC2)C(=O)N=C([O-])NC1=O.[Na+]
InChIInChI=1S/C10H12N2O3.Na/c1-10(6-4-2-3-5-6)7(13)11-9(15)12-8(10)14;/h2,4,6H,3,5H2,1H3,(H2,11,12,13,14,15);/q;+1/p-1
InChIKeyOFSLDXDHMMWMKB-UHFFFAOYSA-M
XLogP-3.66
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate?
The IUPAC name of sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate (CID 137321514) is sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate.
What is the SMILES notation for sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate?
The canonical SMILES for sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate is CC1(C2C=CCC2)C(=O)N=C([O-])NC1=O.[Na+].
What is the InChIKey of sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate?
The InChIKey is OFSLDXDHMMWMKB-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3.Na/c1-10(6-4-2-3-5-6)7(13)11-9(15)12-8(10)14;/h2,4,6H,3,5H2,1H3,(H2,11,12,13,14,15);/q;+1/p-1.
What are the key properties of sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate?
sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate has a molecular weight of 230.20 g/mol, XLogP of -3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-cyclopent-2-en-1-yl-5-methyl-4,6-dioxo-1H-pyrimidin-2-olate is sourced from PubChem (CID 137321514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).