sodium;2,2-dimethylpyrrole;hydride

C6H10NNa — CID 174287667

IUPACsodium;2,2-dimethylpyrrole;hydride
SMILESCC1(C)C=CC=N1.[H-].[Na+]
InChIInChI=1S/C6H9N.Na.H/c1-6(2)4-3-5-7-6;;/h3-5H,1-2H3;;/q;+1;-1
InChIKeyQOPLWTULYFXBTF-UHFFFAOYSA-N
MW119.14 g/mol
LogP-1.48
Rot. Bonds

About sodium;2,2-dimethylpyrrole;hydride

sodium;2,2-dimethylpyrrole;hydride (PubChem CID 174287667) has the molecular formula C6H10NNa and a molecular weight of 119.14 g/mol. Its IUPAC name is sodium;2,2-dimethylpyrrole;hydride.

Molecular Properties

Compound Namesodium;2,2-dimethylpyrrole;hydride
PubChem CID174287667
Molecular FormulaC6H10NNa
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Namesodium;2,2-dimethylpyrrole;hydride
SMILESCC1(C)C=CC=N1.[H-].[Na+]
InChIInChI=1S/C6H9N.Na.H/c1-6(2)4-3-5-7-6;;/h3-5H,1-2H3;;/q;+1;-1
InChIKeyQOPLWTULYFXBTF-UHFFFAOYSA-N
XLogP-1.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;2,2-dimethylpyrrole;hydride?
The IUPAC name of sodium;2,2-dimethylpyrrole;hydride (CID 174287667) is sodium;2,2-dimethylpyrrole;hydride.
What is the SMILES notation for sodium;2,2-dimethylpyrrole;hydride?
The canonical SMILES for sodium;2,2-dimethylpyrrole;hydride is CC1(C)C=CC=N1.[H-].[Na+].
What is the InChIKey of sodium;2,2-dimethylpyrrole;hydride?
The InChIKey is QOPLWTULYFXBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.Na.H/c1-6(2)4-3-5-7-6;;/h3-5H,1-2H3;;/q;+1;-1.
What are the key properties of sodium;2,2-dimethylpyrrole;hydride?
sodium;2,2-dimethylpyrrole;hydride has a molecular weight of 119.14 g/mol, XLogP of -1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,2-dimethylpyrrole;hydride is sourced from PubChem (CID 174287667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).