CID 59303842

C9H5NO2 — CID 59303842

IUPAC—
SMILES[CH]C(=O)c1cnc2occc2c1
InChIInChI=1S/C9H5NO2/c1-6(11)8-4-7-2-3-12-9(7)10-5-8/h1-5H
InChIKeyUTDFIRDJQHSWSY-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.72
Rot. Bonds1

About CID 59303842

CID 59303842 (PubChem CID 59303842) has the molecular formula C9H5NO2 and a molecular weight of 159.14 g/mol.

Molecular Properties

Compound NameCID 59303842
PubChem CID59303842
Molecular FormulaC9H5NO2
Molecular Weight159.14 g/mol
Exact Mass159.03
IUPAC Name—
SMILES[CH]C(=O)c1cnc2occc2c1
InChIInChI=1S/C9H5NO2/c1-6(11)8-4-7-2-3-12-9(7)10-5-8/h1-5H
InChIKeyUTDFIRDJQHSWSY-UHFFFAOYSA-N
XLogP1.72
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303842?
The IUPAC name of CID 59303842 (CID 59303842) is not available.
What is the SMILES notation for CID 59303842?
The canonical SMILES for CID 59303842 is [CH]C(=O)c1cnc2occc2c1.
What is the InChIKey of CID 59303842?
The InChIKey is UTDFIRDJQHSWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO2/c1-6(11)8-4-7-2-3-12-9(7)10-5-8/h1-5H.
What are the key properties of CID 59303842?
CID 59303842 has a molecular weight of 159.14 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303842 is sourced from PubChem (CID 59303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).