amino nitrite;propan-2-one

C3H8N2O3 — CID 22253428

IUPACamino nitrite;propan-2-one
SMILESCC(C)=O.NON=O
InChIInChI=1S/C3H6O.H2N2O2/c1-3(2)4;1-4-2-3/h1-2H3;1H2
InChIKeySEKKFRQATSJTNB-UHFFFAOYSA-N
MW120.11 g/mol
LogP0.15
Rot. Bonds1

About amino nitrite;propan-2-one

amino nitrite;propan-2-one (PubChem CID 22253428) has the molecular formula C3H8N2O3 and a molecular weight of 120.11 g/mol. Its IUPAC name is amino nitrite;propan-2-one.

Molecular Properties

Compound Nameamino nitrite;propan-2-one
PubChem CID22253428
Molecular FormulaC3H8N2O3
Molecular Weight120.11 g/mol
Exact Mass120.05
IUPAC Nameamino nitrite;propan-2-one
SMILESCC(C)=O.NON=O
InChIInChI=1S/C3H6O.H2N2O2/c1-3(2)4;1-4-2-3/h1-2H3;1H2
InChIKeySEKKFRQATSJTNB-UHFFFAOYSA-N
XLogP0.15
TPSA81.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.11
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;propan-2-one;dihydrate
CID 18407837
amino acetate;methanol
CID 174604339
argon;propan-2-one
CID 19604749
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
silver bis(propan-2-one)
CID 71340648
hydroxy nitrite;2-oxopropanoic acid
CID 130339015
magnesium;amino acetate;hydride
CID 173289469
sodium;amino acetate;hydride;hydrochloride
CID 174988291
methyl acetate;nitrous acid
CID 174825102
methanol;propan-2-one;dihydrate
CID 158013024

Frequently Asked Questions

What is the IUPAC name of amino nitrite;propan-2-one?
The IUPAC name of amino nitrite;propan-2-one (CID 22253428) is amino nitrite;propan-2-one.
What is the SMILES notation for amino nitrite;propan-2-one?
The canonical SMILES for amino nitrite;propan-2-one is CC(C)=O.NON=O.
What is the InChIKey of amino nitrite;propan-2-one?
The InChIKey is SEKKFRQATSJTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.H2N2O2/c1-3(2)4;1-4-2-3/h1-2H3;1H2.
What are the key properties of amino nitrite;propan-2-one?
amino nitrite;propan-2-one has a molecular weight of 120.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino nitrite;propan-2-one is sourced from PubChem (CID 22253428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).