hydroxy(propan-2-yl)azanium nitrate

C3H10N2O4 — CID 22114448

IUPAChydroxy(propan-2-yl)azanium nitrate
SMILESCC(C)[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C3H9NO.NO3/c1-3(2)4-5;2-1(3)4/h3-5H,1-2H3;/q;-1/p+1
InChIKeyDLXGZWCBCLZNCX-UHFFFAOYSA-O
MW138.12 g/mol
LogP-0.89
Rot. Bonds1

About hydroxy(propan-2-yl)azanium nitrate

hydroxy(propan-2-yl)azanium nitrate (PubChem CID 22114448) has the molecular formula C3H10N2O4 and a molecular weight of 138.12 g/mol. Its IUPAC name is hydroxy(propan-2-yl)azanium nitrate.

Molecular Properties

Compound Namehydroxy(propan-2-yl)azanium nitrate
PubChem CID22114448
Molecular FormulaC3H10N2O4
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Namehydroxy(propan-2-yl)azanium nitrate
SMILESCC(C)[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C3H9NO.NO3/c1-3(2)4-5;2-1(3)4/h3-5H,1-2H3;/q;-1/p+1
InChIKeyDLXGZWCBCLZNCX-UHFFFAOYSA-O
XLogP-0.89
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy(propan-2-yl)azanium nitrate?
The IUPAC name of hydroxy(propan-2-yl)azanium nitrate (CID 22114448) is hydroxy(propan-2-yl)azanium nitrate.
What is the SMILES notation for hydroxy(propan-2-yl)azanium nitrate?
The canonical SMILES for hydroxy(propan-2-yl)azanium nitrate is CC(C)[NH2+]O.O=[N+]([O-])[O-].
What is the InChIKey of hydroxy(propan-2-yl)azanium nitrate?
The InChIKey is DLXGZWCBCLZNCX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO.NO3/c1-3(2)4-5;2-1(3)4/h3-5H,1-2H3;/q;-1/p+1.
What are the key properties of hydroxy(propan-2-yl)azanium nitrate?
hydroxy(propan-2-yl)azanium nitrate has a molecular weight of 138.12 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(propan-2-yl)azanium nitrate is sourced from PubChem (CID 22114448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).