CID 58544128

C6H8NO2 — CID 58544128

IUPAC—
SMILES[CH2]c1cc(COC)on1
InChIInChI=1S/C6H8NO2/c1-5-3-6(4-8-2)9-7-5/h3H,1,4H2,2H3
InChIKeyQGIHBIFNKPOBJN-UHFFFAOYSA-N
MW126.13 g/mol
LogP1.00
Rot. Bonds2

About CID 58544128

CID 58544128 (PubChem CID 58544128) has the molecular formula C6H8NO2 and a molecular weight of 126.13 g/mol.

Molecular Properties

Compound NameCID 58544128
PubChem CID58544128
Molecular FormulaC6H8NO2
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name—
SMILES[CH2]c1cc(COC)on1
InChIInChI=1S/C6H8NO2/c1-5-3-6(4-8-2)9-7-5/h3H,1,4H2,2H3
InChIKeyQGIHBIFNKPOBJN-UHFFFAOYSA-N
XLogP1.00
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58544128?
The IUPAC name of CID 58544128 (CID 58544128) is not available.
What is the SMILES notation for CID 58544128?
The canonical SMILES for CID 58544128 is [CH2]c1cc(COC)on1.
What is the InChIKey of CID 58544128?
The InChIKey is QGIHBIFNKPOBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2/c1-5-3-6(4-8-2)9-7-5/h3H,1,4H2,2H3.
What are the key properties of CID 58544128?
CID 58544128 has a molecular weight of 126.13 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544128 is sourced from PubChem (CID 58544128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).