sodium;hydride;7-oxabicyclo[4.1.0]heptane

C6H11NaO — CID 173104764

IUPACsodium;hydride;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.[H-].[Na+]
InChIInChI=1S/C6H10O.Na.H/c1-2-4-6-5(3-1)7-6;;/h5-6H,1-4H2;;/q;+1;-1
InChIKeyZZXMEVWAWKXWNJ-UHFFFAOYSA-N
MW122.14 g/mol
LogP-1.56
Rot. Bonds

About sodium;hydride;7-oxabicyclo[4.1.0]heptane

sodium;hydride;7-oxabicyclo[4.1.0]heptane (PubChem CID 173104764) has the molecular formula C6H11NaO and a molecular weight of 122.14 g/mol. Its IUPAC name is sodium;hydride;7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Namesodium;hydride;7-oxabicyclo[4.1.0]heptane
PubChem CID173104764
Molecular FormulaC6H11NaO
Molecular Weight122.14 g/mol
Exact Mass122.07
IUPAC Namesodium;hydride;7-oxabicyclo[4.1.0]heptane
SMILESC1CCC2OC2C1.[H-].[Na+]
InChIInChI=1S/C6H10O.Na.H/c1-2-4-6-5(3-1)7-6;;/h5-6H,1-4H2;;/q;+1;-1
InChIKeyZZXMEVWAWKXWNJ-UHFFFAOYSA-N
XLogP-1.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-1.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze sodium;hydride;7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,6R)-7-oxabicyclo[4.1.0]heptane
CID 637978
25-oxabicyclo[22.1.0]pentacosane
CID 156633217
(6R)-7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 122419523
7,15-dioxatricyclo[12.1.0.06,8]pentadecane
CID 88907444
ethane;7-oxabicyclo[4.1.0]heptane
CID 91307792
7-oxabicyclo[4.1.0]heptane;oxirane
CID 131984165
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
1,4-dioxane;7-oxabicyclo[4.1.0]heptane
CID 174406152
ethane;2-methylpropane;8-oxabicyclo[5.1.0]octane
CID 159343049
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
(16S)-17-oxabicyclo[14.1.0]heptadec-8-ene
CID 173496111

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;7-oxabicyclo[4.1.0]heptane?
The IUPAC name of sodium;hydride;7-oxabicyclo[4.1.0]heptane (CID 173104764) is sodium;hydride;7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for sodium;hydride;7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for sodium;hydride;7-oxabicyclo[4.1.0]heptane is C1CCC2OC2C1.[H-].[Na+].
What is the InChIKey of sodium;hydride;7-oxabicyclo[4.1.0]heptane?
The InChIKey is ZZXMEVWAWKXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.Na.H/c1-2-4-6-5(3-1)7-6;;/h5-6H,1-4H2;;/q;+1;-1.
What are the key properties of sodium;hydride;7-oxabicyclo[4.1.0]heptane?
sodium;hydride;7-oxabicyclo[4.1.0]heptane has a molecular weight of 122.14 g/mol, XLogP of -1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 173104764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).