1-iminopropan-2-ol;hydrochloride

C3H8ClNO — CID 158886323

IUPAC1-iminopropan-2-ol;hydrochloride
SMILESCl.[H]/N=C/C(C)O
InChIInChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2-5H,1H3;1H/b4-2+;
InChIKeyJDRFTWBYGPFIMC-VEELZWTKSA-N
MW109.56 g/mol
LogP0.44
Rot. Bonds1

About 1-iminopropan-2-ol;hydrochloride

1-iminopropan-2-ol;hydrochloride (PubChem CID 158886323) has the molecular formula C3H8ClNO and a molecular weight of 109.56 g/mol. Its IUPAC name is 1-iminopropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-iminopropan-2-ol;hydrochloride
PubChem CID158886323
Molecular FormulaC3H8ClNO
Molecular Weight109.56 g/mol
Exact Mass109.03
IUPAC Name1-iminopropan-2-ol;hydrochloride
SMILESCl.[H]/N=C/C(C)O
InChIInChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2-5H,1H3;1H/b4-2+;
InChIKeyJDRFTWBYGPFIMC-VEELZWTKSA-N
XLogP0.44
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.56
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-iminopropan-2-ol;hydrochloride?
The IUPAC name of 1-iminopropan-2-ol;hydrochloride (CID 158886323) is 1-iminopropan-2-ol;hydrochloride.
What is the SMILES notation for 1-iminopropan-2-ol;hydrochloride?
The canonical SMILES for 1-iminopropan-2-ol;hydrochloride is Cl.[H]/N=C/C(C)O.
What is the InChIKey of 1-iminopropan-2-ol;hydrochloride?
The InChIKey is JDRFTWBYGPFIMC-VEELZWTKSA-N. The full InChI is InChI=1S/C3H7NO.ClH/c1-3(5)2-4;/h2-5H,1H3;1H/b4-2+;.
What are the key properties of 1-iminopropan-2-ol;hydrochloride?
1-iminopropan-2-ol;hydrochloride has a molecular weight of 109.56 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iminopropan-2-ol;hydrochloride is sourced from PubChem (CID 158886323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).