hydroxy(propan-2-yl)azanium chloride

C3H10ClNO — CID 11355458

IUPAChydroxy(propan-2-yl)azanium chloride
SMILESCC(C)[NH2+]O.[Cl-]
InChIInChI=1S/C3H9NO.ClH/c1-3(2)4-5;/h3-5H,1-2H3;1H
InChIKeyBYXUIKZQGOPKFR-UHFFFAOYSA-N
MW111.57 g/mol
LogP-3.65
Rot. Bonds1

About hydroxy(propan-2-yl)azanium chloride

hydroxy(propan-2-yl)azanium chloride (PubChem CID 11355458) has the molecular formula C3H10ClNO and a molecular weight of 111.57 g/mol. Its IUPAC name is hydroxy(propan-2-yl)azanium chloride.

Molecular Properties

Compound Namehydroxy(propan-2-yl)azanium chloride
PubChem CID11355458
Molecular FormulaC3H10ClNO
Molecular Weight111.57 g/mol
Exact Mass111.05
IUPAC Namehydroxy(propan-2-yl)azanium chloride
SMILESCC(C)[NH2+]O.[Cl-]
InChIInChI=1S/C3H9NO.ClH/c1-3(2)4-5;/h3-5H,1-2H3;1H
InChIKeyBYXUIKZQGOPKFR-UHFFFAOYSA-N
XLogP-3.65
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.57
LogP ≤ 5-3.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 chloride?
The IUPAC name of hydroxy(propan-2-yl)azanium chloride (CID 11355458) is hydroxy(propan-2-yl)azanium chloride.
What is the SMILES notation for hydroxy(propan-2-yl)azanium chloride?
The canonical SMILES for hydroxy(propan-2-yl)azanium chloride is CC(C)[NH2+]O.[Cl-].
What is the InChIKey of hydroxy(propan-2-yl)azanium chloride?
The InChIKey is BYXUIKZQGOPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO.ClH/c1-3(2)4-5;/h3-5H,1-2H3;1H.
What are the key properties of hydroxy(propan-2-yl)azanium chloride?
hydroxy(propan-2-yl)azanium chloride has a molecular weight of 111.57 g/mol, XLogP of -3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(propan-2-yl)azanium chloride is sourced from PubChem (CID 11355458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).