CID 101086187

C8H8NO3 — CID 101086187

IUPAC—
SMILESCC1(O)ON([O])c2ccccc21
InChIInChI=1S/C8H8NO3/c1-8(10)6-4-2-3-5-7(6)9(11)12-8/h2-5,10H,1H3
InChIKeyQFXRRPMFSIKXSG-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.95
Rot. Bonds

About CID 101086187

CID 101086187 (PubChem CID 101086187) has the molecular formula C8H8NO3 and a molecular weight of 166.16 g/mol.

Molecular Properties

Compound NameCID 101086187
PubChem CID101086187
Molecular FormulaC8H8NO3
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name—
SMILESCC1(O)ON([O])c2ccccc21
InChIInChI=1S/C8H8NO3/c1-8(10)6-4-2-3-5-7(6)9(11)12-8/h2-5,10H,1H3
InChIKeyQFXRRPMFSIKXSG-UHFFFAOYSA-N
XLogP0.95
TPSA52.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 101086187?
The IUPAC name of CID 101086187 (CID 101086187) is not available.
What is the SMILES notation for CID 101086187?
The canonical SMILES for CID 101086187 is CC1(O)ON([O])c2ccccc21.
What is the InChIKey of CID 101086187?
The InChIKey is QFXRRPMFSIKXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO3/c1-8(10)6-4-2-3-5-7(6)9(11)12-8/h2-5,10H,1H3.
What are the key properties of CID 101086187?
CID 101086187 has a molecular weight of 166.16 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101086187 is sourced from PubChem (CID 101086187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).