CID 101053868

C3H2O — CID 101053868

IUPAC—
SMILES[C]=CC=O
InChIInChI=1S/C3H2O/c1-2-3-4/h2-3H
InChIKeyCKQCIJZRROCPDB-UHFFFAOYSA-N
MW54.05 g/mol
LogP0.05
Rot. Bonds1

About CID 101053868

CID 101053868 (PubChem CID 101053868) has the molecular formula C3H2O and a molecular weight of 54.05 g/mol.

Molecular Properties

Compound NameCID 101053868
PubChem CID101053868
Molecular FormulaC3H2O
Molecular Weight54.05 g/mol
Exact Mass54.01
IUPAC Name—
SMILES[C]=CC=O
InChIInChI=1S/C3H2O/c1-2-3-4/h2-3H
InChIKeyCKQCIJZRROCPDB-UHFFFAOYSA-N
XLogP0.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50054.05
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101053868?
The IUPAC name of CID 101053868 (CID 101053868) is not available.
What is the SMILES notation for CID 101053868?
The canonical SMILES for CID 101053868 is [C]=CC=O.
What is the InChIKey of CID 101053868?
The InChIKey is CKQCIJZRROCPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2O/c1-2-3-4/h2-3H.
What are the key properties of CID 101053868?
CID 101053868 has a molecular weight of 54.05 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101053868 is sourced from PubChem (CID 101053868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).