CID 20731265

C8H11O2U- — CID 20731265

IUPAC—
SMILESOCC[C-]1CC2C=CC1O2.[U]
InChIInChI=1S/C8H11O2.U/c9-4-3-6-5-7-1-2-8(6)10-7;/h1-2,7-9H,3-5H2;/q-1;
InChIKeyHZLQWJVCBWETSS-UHFFFAOYSA-N
MW377.20 g/mol
LogP0.67
Rot. Bonds2

About CID 20731265

CID 20731265 (PubChem CID 20731265) has the molecular formula C8H11O2U- and a molecular weight of 377.20 g/mol.

Molecular Properties

Compound NameCID 20731265
PubChem CID20731265
Molecular FormulaC8H11O2U-
Molecular Weight377.20 g/mol
Exact Mass377.13
IUPAC Name—
SMILESOCC[C-]1CC2C=CC1O2.[U]
InChIInChI=1S/C8H11O2.U/c9-4-3-6-5-7-1-2-8(6)10-7;/h1-2,7-9H,3-5H2;/q-1;
InChIKeyHZLQWJVCBWETSS-UHFFFAOYSA-N
XLogP0.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze CID 20731265 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 20731265?
The IUPAC name of CID 20731265 (CID 20731265) is not available.
What is the SMILES notation for CID 20731265?
The canonical SMILES for CID 20731265 is OCC[C-]1CC2C=CC1O2.[U].
What is the InChIKey of CID 20731265?
The InChIKey is HZLQWJVCBWETSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.U/c9-4-3-6-5-7-1-2-8(6)10-7;/h1-2,7-9H,3-5H2;/q-1;.
What are the key properties of CID 20731265?
CID 20731265 has a molecular weight of 377.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20731265 is sourced from PubChem (CID 20731265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).