CID 58210448

C9H15O2U- — CID 58210448

IUPAC—
SMILESCCC12COC([CH-]CO1)C2C.[U]
InChIInChI=1S/C9H15O2.U/c1-3-9-6-10-8(7(9)2)4-5-11-9;/h4,7-8H,3,5-6H2,1-2H3;/q-1;
InChIKeyNNGPPGHINYOOFP-UHFFFAOYSA-N
MW393.25 g/mol
LogP1.40
Rot. Bonds1

About CID 58210448

CID 58210448 (PubChem CID 58210448) has the molecular formula C9H15O2U- and a molecular weight of 393.25 g/mol.

Molecular Properties

Compound NameCID 58210448
PubChem CID58210448
Molecular FormulaC9H15O2U-
Molecular Weight393.25 g/mol
Exact Mass393.16
IUPAC Name—
SMILESCCC12COC([CH-]CO1)C2C.[U]
InChIInChI=1S/C9H15O2.U/c1-3-9-6-10-8(7(9)2)4-5-11-9;/h4,7-8H,3,5-6H2,1-2H3;/q-1;
InChIKeyNNGPPGHINYOOFP-UHFFFAOYSA-N
XLogP1.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58210448?
The IUPAC name of CID 58210448 (CID 58210448) is not available.
What is the SMILES notation for CID 58210448?
The canonical SMILES for CID 58210448 is CCC12COC([CH-]CO1)C2C.[U].
What is the InChIKey of CID 58210448?
The InChIKey is NNGPPGHINYOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15O2.U/c1-3-9-6-10-8(7(9)2)4-5-11-9;/h4,7-8H,3,5-6H2,1-2H3;/q-1;.
What are the key properties of CID 58210448?
CID 58210448 has a molecular weight of 393.25 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58210448 is sourced from PubChem (CID 58210448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).