1-hydroxypropan-2-ylideneoxidanium

C3H7O2+ — CID 59187814

IUPAC1-hydroxypropan-2-ylideneoxidanium
SMILES[H]/[O+]=C(\C)CO
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3/p+1
InChIKeyXLSMFKSTNGKWQX-UHFFFAOYSA-O
MW75.09 g/mol
LogP-0.46
Rot. Bonds1

About 1-hydroxypropan-2-ylideneoxidanium

1-hydroxypropan-2-ylideneoxidanium (PubChem CID 59187814) has the molecular formula C3H7O2+ and a molecular weight of 75.09 g/mol. Its IUPAC name is 1-hydroxypropan-2-ylideneoxidanium.

Molecular Properties

Compound Name1-hydroxypropan-2-ylideneoxidanium
PubChem CID59187814
Molecular FormulaC3H7O2+
Molecular Weight75.09 g/mol
Exact Mass75.04
IUPAC Name1-hydroxypropan-2-ylideneoxidanium
SMILES[H]/[O+]=C(\C)CO
InChIInChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3/p+1
InChIKeyXLSMFKSTNGKWQX-UHFFFAOYSA-O
XLogP-0.46
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.09
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-ylideneoxidanium?
The IUPAC name of 1-hydroxypropan-2-ylideneoxidanium (CID 59187814) is 1-hydroxypropan-2-ylideneoxidanium.
What is the SMILES notation for 1-hydroxypropan-2-ylideneoxidanium?
The canonical SMILES for 1-hydroxypropan-2-ylideneoxidanium is [H]/[O+]=C(\C)CO.
What is the InChIKey of 1-hydroxypropan-2-ylideneoxidanium?
The InChIKey is XLSMFKSTNGKWQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3/p+1.
What are the key properties of 1-hydroxypropan-2-ylideneoxidanium?
1-hydroxypropan-2-ylideneoxidanium has a molecular weight of 75.09 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-ylideneoxidanium is sourced from PubChem (CID 59187814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).