sodium 2-methylbutanenitrile

C5H9NNa+ — CID 23346888

IUPACsodium 2-methylbutanenitrile
SMILESCCC(C)C#N.[Na+]
InChIInChI=1S/C5H9N.Na/c1-3-5(2)4-6;/h5H,3H2,1-2H3;/q;+1
InChIKeyNMJUGJZOWYXIHN-UHFFFAOYSA-N
MW106.12 g/mol
LogP-1.44
Rot. Bonds1

About sodium 2-methylbutanenitrile

sodium 2-methylbutanenitrile (PubChem CID 23346888) has the molecular formula C5H9NNa+ and a molecular weight of 106.12 g/mol. Its IUPAC name is sodium 2-methylbutanenitrile.

Molecular Properties

Compound Namesodium 2-methylbutanenitrile
PubChem CID23346888
Molecular FormulaC5H9NNa+
Molecular Weight106.12 g/mol
Exact Mass106.06
IUPAC Namesodium 2-methylbutanenitrile
SMILESCCC(C)C#N.[Na+]
InChIInChI=1S/C5H9N.Na/c1-3-5(2)4-6;/h5H,3H2,1-2H3;/q;+1
InChIKeyNMJUGJZOWYXIHN-UHFFFAOYSA-N
XLogP-1.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.12
LogP ≤ 5-1.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isovaleronitrile
CID 12244
2-Methylbutyronitrile
CID 29339
4-Methylpentanenitrile
CID 10956
(S)-2-methylbutyronitrile
CID 642159
2-Ethylbutyronitrile
CID 69244
2-Ethylpropanedinitrile
CID 19426
3-Methylpentanenitrile
CID 11829373
2-Methylbutyronitrile, (R)-
CID 5479121
2-Methylpentanenitrile
CID 236146
2,3-Dimethylbutanenitrile
CID 13158036
2,4-Dimethylpentanenitrile
CID 21881676
2,3-Dimethylbutanedinitrile
CID 543121

Frequently Asked Questions

What is the IUPAC name of sodium 2-methylbutanenitrile?
The IUPAC name of sodium 2-methylbutanenitrile (CID 23346888) is sodium 2-methylbutanenitrile.
What is the SMILES notation for sodium 2-methylbutanenitrile?
The canonical SMILES for sodium 2-methylbutanenitrile is CCC(C)C#N.[Na+].
What is the InChIKey of sodium 2-methylbutanenitrile?
The InChIKey is NMJUGJZOWYXIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.Na/c1-3-5(2)4-6;/h5H,3H2,1-2H3;/q;+1.
What are the key properties of sodium 2-methylbutanenitrile?
sodium 2-methylbutanenitrile has a molecular weight of 106.12 g/mol, XLogP of -1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methylbutanenitrile is sourced from PubChem (CID 23346888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).