propan-2-ylideneoxidanium

C3H7O+ — CID 12543519

IUPACpropan-2-ylideneoxidanium
SMILES[H][O+]=C(C)C
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3/p+1
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-O
MW59.09 g/mol
LogP0.57
Rot. Bonds

About propan-2-ylideneoxidanium

propan-2-ylideneoxidanium (PubChem CID 12543519) has the molecular formula C3H7O+ and a molecular weight of 59.09 g/mol. Its IUPAC name is propan-2-ylideneoxidanium.

Molecular Properties

Compound Namepropan-2-ylideneoxidanium
PubChem CID12543519
Molecular FormulaC3H7O+
Molecular Weight59.09 g/mol
Exact Mass59.05
IUPAC Namepropan-2-ylideneoxidanium
SMILES[H][O+]=C(C)C
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3/p+1
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-O
XLogP0.57
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.09
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze propan-2-ylideneoxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-2-methylprop-1-ene;silane
CID 159257141
methyl(prop-1-en-2-yl)azanium
CID 58091792
(E)-1-fluoroprop-1-en-2-ol
CID 142873409
bis(2,3-dimethylbut-2-ene);methane
CID 162234102
2-methyl(114C)prop-1-ene
CID 91412084
2,3-dimethylbut-2-ene;phosphane
CID 159112773
methanol
CID 158655095
gadolinium;methanol
CID 118647250
(3E)-3-(1-hydroxyethylidene)-5-methylhexan-2-one
CID 15903424
Silane-acetone
CID 18680436
propan-2-ylideneazanide;yttrium
CID 59954797
(E)-2,3-difluorobut-2-ene
CID 59928419

Frequently Asked Questions

What is the IUPAC name of propan-2-ylideneoxidanium?
The IUPAC name of propan-2-ylideneoxidanium (CID 12543519) is propan-2-ylideneoxidanium.
What is the SMILES notation for propan-2-ylideneoxidanium?
The canonical SMILES for propan-2-ylideneoxidanium is [H][O+]=C(C)C.
What is the InChIKey of propan-2-ylideneoxidanium?
The InChIKey is CSCPPACGZOOCGX-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H6O/c1-3(2)4/h1-2H3/p+1.
What are the key properties of propan-2-ylideneoxidanium?
propan-2-ylideneoxidanium has a molecular weight of 59.09 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylideneoxidanium is sourced from PubChem (CID 12543519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).