CID 59101661

C8H10NO2 — CID 59101661

IUPAC—
SMILESO=C1NC2CC3[CH]C(O1)C2C3
InChIInChI=1S/C8H10NO2/c10-8-9-6-2-4-1-5(6)7(3-4)11-8/h3-7H,1-2H2,(H,9,10)
InChIKeyGDUYAVIGVFIEQG-UHFFFAOYSA-N
MW152.17 g/mol
LogP0.71
Rot. Bonds

About CID 59101661

CID 59101661 (PubChem CID 59101661) has the molecular formula C8H10NO2 and a molecular weight of 152.17 g/mol.

Molecular Properties

Compound NameCID 59101661
PubChem CID59101661
Molecular FormulaC8H10NO2
Molecular Weight152.17 g/mol
Exact Mass152.07
IUPAC Name—
SMILESO=C1NC2CC3[CH]C(O1)C2C3
InChIInChI=1S/C8H10NO2/c10-8-9-6-2-4-1-5(6)7(3-4)11-8/h3-7H,1-2H2,(H,9,10)
InChIKeyGDUYAVIGVFIEQG-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze CID 59101661 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 59101661?
The IUPAC name of CID 59101661 (CID 59101661) is not available.
What is the SMILES notation for CID 59101661?
The canonical SMILES for CID 59101661 is O=C1NC2CC3[CH]C(O1)C2C3.
What is the InChIKey of CID 59101661?
The InChIKey is GDUYAVIGVFIEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2/c10-8-9-6-2-4-1-5(6)7(3-4)11-8/h3-7H,1-2H2,(H,9,10).
What are the key properties of CID 59101661?
CID 59101661 has a molecular weight of 152.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59101661 is sourced from PubChem (CID 59101661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).