sodium;propan-1-ol;nitrite

C3H8NNaO3 — CID 174896587

IUPACsodium;propan-1-ol;nitrite
SMILESCCCO.O=N[O-].[Na+]
InChIInChI=1S/C3H8O.HNO2.Na/c1-2-3-4;2-1-3;/h4H,2-3H2,1H3;(H,2,3);/q;;+1/p-1
InChIKeyFDVUUUDSEWHYDR-UHFFFAOYSA-M
MW129.09 g/mol
LogP-2.36
Rot. Bonds1

About sodium;propan-1-ol;nitrite

sodium;propan-1-ol;nitrite (PubChem CID 174896587) has the molecular formula C3H8NNaO3 and a molecular weight of 129.09 g/mol. Its IUPAC name is sodium;propan-1-ol;nitrite.

Molecular Properties

Compound Namesodium;propan-1-ol;nitrite
PubChem CID174896587
Molecular FormulaC3H8NNaO3
Molecular Weight129.09 g/mol
Exact Mass129.04
IUPAC Namesodium;propan-1-ol;nitrite
SMILESCCCO.O=N[O-].[Na+]
InChIInChI=1S/C3H8O.HNO2.Na/c1-2-3-4;2-1-3;/h4H,2-3H2,1H3;(H,2,3);/q;;+1/p-1
InChIKeyFDVUUUDSEWHYDR-UHFFFAOYSA-M
XLogP-2.36
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.09
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

sodium;propan-1-ol;iodide
CID 174317067
sodium;propane-1,2-diol;nitrite
CID 158616438
propan-1-ol;hydroiodide
CID 126649388
phosphane;tris(propan-1-ol)
CID 172777513
bis(propan-1-ol);yttrium
CID 20652670
propan-1-ol;sulfanide
CID 19710776
CID 6391766
CID 6391766
niobium;hexakis(propan-1-ol)
CID 142301963
nickel;propan-1-ol
CID 22476953
Sodium nitrite N-15
CID 23662135
carbonic acid;propan-1-ol
CID 87687313
methane;bis(propan-1-ol);tungsten
CID 161195602

Frequently Asked Questions

What is the IUPAC name of sodium;propan-1-ol;nitrite?
The IUPAC name of sodium;propan-1-ol;nitrite (CID 174896587) is sodium;propan-1-ol;nitrite.
What is the SMILES notation for sodium;propan-1-ol;nitrite?
The canonical SMILES for sodium;propan-1-ol;nitrite is CCCO.O=N[O-].[Na+].
What is the InChIKey of sodium;propan-1-ol;nitrite?
The InChIKey is FDVUUUDSEWHYDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H8O.HNO2.Na/c1-2-3-4;2-1-3;/h4H,2-3H2,1H3;(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;propan-1-ol;nitrite?
sodium;propan-1-ol;nitrite has a molecular weight of 129.09 g/mol, XLogP of -2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;propan-1-ol;nitrite is sourced from PubChem (CID 174896587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).