CID 102291189

C3H5O2 — CID 102291189

IUPAC—
SMILESOOC1[CH]C1
InChIInChI=1S/C3H5O2/c4-5-3-1-2-3/h1,3-4H,2H2
InChIKeyGTSYYJGJPPGUET-UHFFFAOYSA-N
MW73.07 g/mol
LogP0.45
Rot. Bonds1

About CID 102291189

CID 102291189 (PubChem CID 102291189) has the molecular formula C3H5O2 and a molecular weight of 73.07 g/mol.

Molecular Properties

Compound NameCID 102291189
PubChem CID102291189
Molecular FormulaC3H5O2
Molecular Weight73.07 g/mol
Exact Mass73.03
IUPAC Name—
SMILESOOC1[CH]C1
InChIInChI=1S/C3H5O2/c4-5-3-1-2-3/h1,3-4H,2H2
InChIKeyGTSYYJGJPPGUET-UHFFFAOYSA-N
XLogP0.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.07
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 102291189?
The IUPAC name of CID 102291189 (CID 102291189) is not available.
What is the SMILES notation for CID 102291189?
The canonical SMILES for CID 102291189 is OOC1[CH]C1.
What is the InChIKey of CID 102291189?
The InChIKey is GTSYYJGJPPGUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2/c4-5-3-1-2-3/h1,3-4H,2H2.
What are the key properties of CID 102291189?
CID 102291189 has a molecular weight of 73.07 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102291189 is sourced from PubChem (CID 102291189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).