CID 59347994

C4H5NO2 — CID 59347994

IUPAC—
SMILES[CH]N1CCOC1=O
InChIInChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h1H,2-3H2
InChIKeyGFBHEXLVGBMGSL-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.11
Rot. Bonds

About CID 59347994

CID 59347994 (PubChem CID 59347994) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol.

Molecular Properties

Compound NameCID 59347994
PubChem CID59347994
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name—
SMILES[CH]N1CCOC1=O
InChIInChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h1H,2-3H2
InChIKeyGFBHEXLVGBMGSL-UHFFFAOYSA-N
XLogP0.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59347994?
The IUPAC name of CID 59347994 (CID 59347994) is not available.
What is the SMILES notation for CID 59347994?
The canonical SMILES for CID 59347994 is [CH]N1CCOC1=O.
What is the InChIKey of CID 59347994?
The InChIKey is GFBHEXLVGBMGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2/c1-5-2-3-7-4(5)6/h1H,2-3H2.
What are the key properties of CID 59347994?
CID 59347994 has a molecular weight of 99.09 g/mol, XLogP of 0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59347994 is sourced from PubChem (CID 59347994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).