CID 101026822

C3H5O2 — CID 101026822

IUPAC—
SMILES[O]OC1CC1
InChIInChI=1S/C3H5O2/c4-5-3-1-2-3/h3H,1-2H2
InChIKeySBLOYEIIAQNOGO-UHFFFAOYSA-N
MW73.07 g/mol
LogP0.51
Rot. Bonds1

About CID 101026822

CID 101026822 (PubChem CID 101026822) has the molecular formula C3H5O2 and a molecular weight of 73.07 g/mol.

Molecular Properties

Compound NameCID 101026822
PubChem CID101026822
Molecular FormulaC3H5O2
Molecular Weight73.07 g/mol
Exact Mass73.03
IUPAC Name—
SMILES[O]OC1CC1
InChIInChI=1S/C3H5O2/c4-5-3-1-2-3/h3H,1-2H2
InChIKeySBLOYEIIAQNOGO-UHFFFAOYSA-N
XLogP0.51
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.07
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 101026822?
The IUPAC name of CID 101026822 (CID 101026822) is not available.
What is the SMILES notation for CID 101026822?
The canonical SMILES for CID 101026822 is [O]OC1CC1.
What is the InChIKey of CID 101026822?
The InChIKey is SBLOYEIIAQNOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O2/c4-5-3-1-2-3/h3H,1-2H2.
What are the key properties of CID 101026822?
CID 101026822 has a molecular weight of 73.07 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101026822 is sourced from PubChem (CID 101026822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).