CID 59269538

C5H5NO — CID 59269538

IUPAC—
SMILES[CH]Cc1ccon1
InChIInChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h1,3-4H,2H2
InChIKeyHXLVIXHRAOYACW-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.93
Rot. Bonds1

About CID 59269538

CID 59269538 (PubChem CID 59269538) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol.

Molecular Properties

Compound NameCID 59269538
PubChem CID59269538
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name—
SMILES[CH]Cc1ccon1
InChIInChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h1,3-4H,2H2
InChIKeyHXLVIXHRAOYACW-UHFFFAOYSA-N
XLogP0.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269538?
The IUPAC name of CID 59269538 (CID 59269538) is not available.
What is the SMILES notation for CID 59269538?
The canonical SMILES for CID 59269538 is [CH]Cc1ccon1.
What is the InChIKey of CID 59269538?
The InChIKey is HXLVIXHRAOYACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c1-2-5-3-4-7-6-5/h1,3-4H,2H2.
What are the key properties of CID 59269538?
CID 59269538 has a molecular weight of 95.10 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269538 is sourced from PubChem (CID 59269538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).