sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride

C8H11NaO — CID 173449401

IUPACsodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
SMILESO=CC1CC2C=CC1C2.[H-].[Na+]
InChIInChI=1S/C8H10O.Na.H/c9-5-8-4-6-1-2-7(8)3-6;;/h1-2,5-8H,3-4H2;;/q;+1;-1
InChIKeyMBXKPHDMIVXBAH-UHFFFAOYSA-N
MW146.17 g/mol
LogP-1.49
Rot. Bonds1

About sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride

sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride (PubChem CID 173449401) has the molecular formula C8H11NaO and a molecular weight of 146.17 g/mol. Its IUPAC name is sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride.

Molecular Properties

Compound Namesodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
PubChem CID173449401
Molecular FormulaC8H11NaO
Molecular Weight146.17 g/mol
Exact Mass146.07
IUPAC Namesodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride
SMILESO=CC1CC2C=CC1C2.[H-].[Na+]
InChIInChI=1S/C8H10O.Na.H/c9-5-8-4-6-1-2-7(8)3-6;;/h1-2,5-8H,3-4H2;;/q;+1;-1
InChIKeyMBXKPHDMIVXBAH-UHFFFAOYSA-N
XLogP-1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride?
The IUPAC name of sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride (CID 173449401) is sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride.
What is the SMILES notation for sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride?
The canonical SMILES for sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride is O=CC1CC2C=CC1C2.[H-].[Na+].
What is the InChIKey of sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride?
The InChIKey is MBXKPHDMIVXBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.Na.H/c9-5-8-4-6-1-2-7(8)3-6;;/h1-2,5-8H,3-4H2;;/q;+1;-1.
What are the key properties of sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride?
sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride has a molecular weight of 146.17 g/mol, XLogP of -1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bicyclo[2.2.1]hept-5-ene-2-carbaldehyde;hydride is sourced from PubChem (CID 173449401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).