CID 87392870

C8H9NO2Sr — CID 87392870

IUPAC—
SMILESO=C1NC(=O)C2CCC=CC12.[Sr]
InChIInChI=1S/C8H9NO2.Sr/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1,3,5-6H,2,4H2,(H,9,10,11);
InChIKeyRYSJBINQYKBLGC-UHFFFAOYSA-N
MW238.78 g/mol
LogP-0.16
Rot. Bonds

About CID 87392870

CID 87392870 (PubChem CID 87392870) has the molecular formula C8H9NO2Sr and a molecular weight of 238.78 g/mol.

Molecular Properties

Compound NameCID 87392870
PubChem CID87392870
Molecular FormulaC8H9NO2Sr
Molecular Weight238.78 g/mol
Exact Mass238.97
IUPAC Name—
SMILESO=C1NC(=O)C2CCC=CC12.[Sr]
InChIInChI=1S/C8H9NO2.Sr/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1,3,5-6H,2,4H2,(H,9,10,11);
InChIKeyRYSJBINQYKBLGC-UHFFFAOYSA-N
XLogP-0.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.78
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87392870?
The IUPAC name of CID 87392870 (CID 87392870) is not available.
What is the SMILES notation for CID 87392870?
The canonical SMILES for CID 87392870 is O=C1NC(=O)C2CCC=CC12.[Sr].
What is the InChIKey of CID 87392870?
The InChIKey is RYSJBINQYKBLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.Sr/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1,3,5-6H,2,4H2,(H,9,10,11);.
What are the key properties of CID 87392870?
CID 87392870 has a molecular weight of 238.78 g/mol, XLogP of -0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87392870 is sourced from PubChem (CID 87392870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).