CID 160931702

C7H14N2Os — CID 160931702

IUPAC—
SMILESCC(C)N=C=NC(C)C.[Os]
InChIInChI=1S/C7H14N2.Os/c1-6(2)8-5-9-7(3)4;/h6-7H,1-4H3;
InChIKeySTIWUQNBQIOFGD-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.97
Rot. Bonds2

About CID 160931702

CID 160931702 (PubChem CID 160931702) has the molecular formula C7H14N2Os and a molecular weight of 316.43 g/mol.

Molecular Properties

Compound NameCID 160931702
PubChem CID160931702
Molecular FormulaC7H14N2Os
Molecular Weight316.43 g/mol
Exact Mass318.08
IUPAC Name—
SMILESCC(C)N=C=NC(C)C.[Os]
InChIInChI=1S/C7H14N2.Os/c1-6(2)8-5-9-7(3)4;/h6-7H,1-4H3;
InChIKeySTIWUQNBQIOFGD-UHFFFAOYSA-N
XLogP1.97
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 160931702 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 160931702?
The IUPAC name of CID 160931702 (CID 160931702) is not available.
What is the SMILES notation for CID 160931702?
The canonical SMILES for CID 160931702 is CC(C)N=C=NC(C)C.[Os].
What is the InChIKey of CID 160931702?
The InChIKey is STIWUQNBQIOFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.Os/c1-6(2)8-5-9-7(3)4;/h6-7H,1-4H3;.
What are the key properties of CID 160931702?
CID 160931702 has a molecular weight of 316.43 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160931702 is sourced from PubChem (CID 160931702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).