CID 59437189

C4H5NO2 — CID 59437189

IUPAC—
SMILES[CH]ON(C)C([CH])=O
InChIInChI=1S/C4H5NO2/c1-4(6)5(2)7-3/h1,3H,2H3
InChIKeyRRTIZBFGOWIODV-UHFFFAOYSA-N
MW99.09 g/mol
LogP-0.24
Rot. Bonds1

About CID 59437189

CID 59437189 (PubChem CID 59437189) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol.

Molecular Properties

Compound NameCID 59437189
PubChem CID59437189
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name—
SMILES[CH]ON(C)C([CH])=O
InChIInChI=1S/C4H5NO2/c1-4(6)5(2)7-3/h1,3H,2H3
InChIKeyRRTIZBFGOWIODV-UHFFFAOYSA-N
XLogP-0.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59437189?
The IUPAC name of CID 59437189 (CID 59437189) is not available.
What is the SMILES notation for CID 59437189?
The canonical SMILES for CID 59437189 is [CH]ON(C)C([CH])=O.
What is the InChIKey of CID 59437189?
The InChIKey is RRTIZBFGOWIODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-4(6)5(2)7-3/h1,3H,2H3.
What are the key properties of CID 59437189?
CID 59437189 has a molecular weight of 99.09 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59437189 is sourced from PubChem (CID 59437189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).