CID 18764448

CNOSi- — CID 18764448

IUPAC—
SMILES[N-]=C=O.[Si]
InChIInChI=1S/CNO.Si/c2-1-3;/q-1;
InChIKeyBQTAOWIWZWSPHV-UHFFFAOYSA-N
MW70.10 g/mol
LogP-0.49
Rot. Bonds

About CID 18764448

CID 18764448 (PubChem CID 18764448) has the molecular formula CNOSi- and a molecular weight of 70.10 g/mol.

Molecular Properties

Compound NameCID 18764448
PubChem CID18764448
Molecular FormulaCNOSi-
Molecular Weight70.10 g/mol
Exact Mass69.98
IUPAC Name—
SMILES[N-]=C=O.[Si]
InChIInChI=1S/CNO.Si/c2-1-3;/q-1;
InChIKeyBQTAOWIWZWSPHV-UHFFFAOYSA-N
XLogP-0.49
TPSA39.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.10
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 22938984
CID 22938984
CID 159379523
CID 159379523
dicesium diisocyanate
CID 158783329
sulfane isocyanate
CID 23503952
zirconium(4+) tetraisocyanate
CID 161118534
azane isocyanate
CID 22114493
ruthenium(1+) isocyanate
CID 150299846
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
hydrazine diisocyanate
CID 21493304
chromium(3+);iron(2+);pentaisocyanate
CID 175385630

Frequently Asked Questions

What is the IUPAC name of CID 18764448?
The IUPAC name of CID 18764448 (CID 18764448) is not available.
What is the SMILES notation for CID 18764448?
The canonical SMILES for CID 18764448 is [N-]=C=O.[Si].
What is the InChIKey of CID 18764448?
The InChIKey is BQTAOWIWZWSPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.Si/c2-1-3;/q-1;.
What are the key properties of CID 18764448?
CID 18764448 has a molecular weight of 70.10 g/mol, XLogP of -0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18764448 is sourced from PubChem (CID 18764448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).