sodium;3-methanidylideneoxan-2-one;hydroxide

C6H8NaO3- — CID 165372551

IUPACsodium;3-methanidylideneoxan-2-one;hydroxide
SMILES[H]/[C-]=C1/CCCOC1=O.[Na+].[OH-]
InChIInChI=1S/C6H7O2.Na.H2O/c1-5-3-2-4-8-6(5)7;;/h1H,2-4H2;;1H2/q-1;+1;/p-1
InChIKeyQPXPGUYMFOEUFZ-UHFFFAOYSA-M
MW151.12 g/mol
LogP-2.49
Rot. Bonds

About sodium;3-methanidylideneoxan-2-one;hydroxide

sodium;3-methanidylideneoxan-2-one;hydroxide (PubChem CID 165372551) has the molecular formula C6H8NaO3- and a molecular weight of 151.12 g/mol. Its IUPAC name is sodium;3-methanidylideneoxan-2-one;hydroxide.

Molecular Properties

Compound Namesodium;3-methanidylideneoxan-2-one;hydroxide
PubChem CID165372551
Molecular FormulaC6H8NaO3-
Molecular Weight151.12 g/mol
Exact Mass151.04
IUPAC Namesodium;3-methanidylideneoxan-2-one;hydroxide
SMILES[H]/[C-]=C1/CCCOC1=O.[Na+].[OH-]
InChIInChI=1S/C6H7O2.Na.H2O/c1-5-3-2-4-8-6(5)7;;/h1H,2-4H2;;1H2/q-1;+1;/p-1
InChIKeyQPXPGUYMFOEUFZ-UHFFFAOYSA-M
XLogP-2.49
TPSA56.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-2.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(213C)oxolan-2-one
CID 175700736
oxepane-2,3-dione
CID 14401423
(3E)-3-propylideneoxan-2-one
CID 13398830
3-ethenylideneoxan-2-one
CID 53235610
oxolan-2-one;yttrium
CID 157257098
oxolan-2-one;silver
CID 175854718
3-methylideneoxepan-2-one
CID 13113479
oxolan-2-one;hydrate;hydrochloride
CID 174376382
3-methylidene-oxacyclotetradecan-2-one
CID 14815029
disodium;oxolan-2-one;sulfate
CID 172781465
3-methylideneoxan-2-one;oxan-2-one
CID 157417419
oxolan-2-one;propane
CID 91446607

Frequently Asked Questions

What is the IUPAC name of sodium;3-methanidylideneoxan-2-one;hydroxide?
The IUPAC name of sodium;3-methanidylideneoxan-2-one;hydroxide (CID 165372551) is sodium;3-methanidylideneoxan-2-one;hydroxide.
What is the SMILES notation for sodium;3-methanidylideneoxan-2-one;hydroxide?
The canonical SMILES for sodium;3-methanidylideneoxan-2-one;hydroxide is [H]/[C-]=C1/CCCOC1=O.[Na+].[OH-].
What is the InChIKey of sodium;3-methanidylideneoxan-2-one;hydroxide?
The InChIKey is QPXPGUYMFOEUFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7O2.Na.H2O/c1-5-3-2-4-8-6(5)7;;/h1H,2-4H2;;1H2/q-1;+1;/p-1.
What are the key properties of sodium;3-methanidylideneoxan-2-one;hydroxide?
sodium;3-methanidylideneoxan-2-one;hydroxide has a molecular weight of 151.12 g/mol, XLogP of -2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3-methanidylideneoxan-2-one;hydroxide is sourced from PubChem (CID 165372551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).