sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide

C8H8N2NaO3- — CID 140669661

IUPACsodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide
SMILESO=[C-][C@@H]1CCc2nccc(=O)n21.[Na+].[OH-]
InChIInChI=1S/C8H7N2O2.Na.H2O/c11-5-6-1-2-7-9-4-3-8(12)10(6)7;;/h3-4,6H,1-2H2;;1H2/q-1;+1;/p-1/t6-;;/m0../s1
InChIKeyFXZDACZBSUZZSI-ILKKLZGPSA-M
MW203.15 g/mol
LogP-3.33
Rot. Bonds1

About sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide

sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide (PubChem CID 140669661) has the molecular formula C8H8N2NaO3- and a molecular weight of 203.15 g/mol. Its IUPAC name is sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide.

Molecular Properties

Compound Namesodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide
PubChem CID140669661
Molecular FormulaC8H8N2NaO3-
Molecular Weight203.15 g/mol
Exact Mass203.04
IUPAC Namesodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide
SMILESO=[C-][C@@H]1CCc2nccc(=O)n21.[Na+].[OH-]
InChIInChI=1S/C8H7N2O2.Na.H2O/c11-5-6-1-2-7-9-4-3-8(12)10(6)7;;/h3-4,6H,1-2H2;;1H2/q-1;+1;/p-1/t6-;;/m0../s1
InChIKeyFXZDACZBSUZZSI-ILKKLZGPSA-M
XLogP-3.33
TPSA81.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide?
The IUPAC name of sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide (CID 140669661) is sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide.
What is the SMILES notation for sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide?
The canonical SMILES for sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide is O=[C-][C@@H]1CCc2nccc(=O)n21.[Na+].[OH-].
What is the InChIKey of sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide?
The InChIKey is FXZDACZBSUZZSI-ILKKLZGPSA-M. The full InChI is InChI=1S/C8H7N2O2.Na.H2O/c11-5-6-1-2-7-9-4-3-8(12)10(6)7;;/h3-4,6H,1-2H2;;1H2/q-1;+1;/p-1/t6-;;/m0../s1.
What are the key properties of sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide?
sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide has a molecular weight of 203.15 g/mol, XLogP of -3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(6S)-6-(oxomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;hydroxide is sourced from PubChem (CID 140669661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).