CID 58444512

C3H4O — CID 58444512

IUPAC—
SMILES[CH]OC=C
InChIInChI=1S/C3H4O/c1-3-4-2/h2-3H,1H2
InChIKeyFMNGCVKRMOYGKC-UHFFFAOYSA-N
MW56.06 g/mol
LogP0.82
Rot. Bonds1

About CID 58444512

CID 58444512 (PubChem CID 58444512) has the molecular formula C3H4O and a molecular weight of 56.06 g/mol.

Molecular Properties

Compound NameCID 58444512
PubChem CID58444512
Molecular FormulaC3H4O
Molecular Weight56.06 g/mol
Exact Mass56.03
IUPAC Name—
SMILES[CH]OC=C
InChIInChI=1S/C3H4O/c1-3-4-2/h2-3H,1H2
InChIKeyFMNGCVKRMOYGKC-UHFFFAOYSA-N
XLogP0.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.06
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 58444512?
The IUPAC name of CID 58444512 (CID 58444512) is not available.
What is the SMILES notation for CID 58444512?
The canonical SMILES for CID 58444512 is [CH]OC=C.
What is the InChIKey of CID 58444512?
The InChIKey is FMNGCVKRMOYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O/c1-3-4-2/h2-3H,1H2.
What are the key properties of CID 58444512?
CID 58444512 has a molecular weight of 56.06 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58444512 is sourced from PubChem (CID 58444512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).