CID 159379523

CNOSi — CID 159379523

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

About CID 159379523

CID 159379523 (PubChem CID 159379523) has the molecular formula CNOSi and a molecular weight of 70.10 g/mol.

Molecular Properties

Compound NameCID 159379523
PubChem CID159379523
Molecular FormulaCNOSi
Molecular Weight70.10 g/mol
Exact Mass69.97
IUPAC Name—
SMILES[N-]=C=O.[Si+]
InChIInChI=1S/CNO.Si/c2-1-3;/q-1;+1
InChIKeyLKSOBCKVKSSVEA-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 18764448
CID 18764448
dicesium diisocyanate
CID 158783329
zirconium(4+) tetraisocyanate
CID 161118534
sulfane isocyanate
CID 23503952
azane isocyanate
CID 22114493
ruthenium(1+) isocyanate
CID 150299846
cerium(3+) triisocyanate
CID 141389401
sodium;dichloride;isocyanate
CID 18324615
hydrazine diisocyanate
CID 21493304
iron(2+);nickel(2+);tetraisocyanate
CID 175341368
chromium(3+);iron(2+);pentaisocyanate
CID 175385630
methane;phosphane;diisocyanate
CID 21425418

Frequently Asked Questions

What is the IUPAC name of CID 159379523?
The IUPAC name of CID 159379523 (CID 159379523) is not available.
What is the SMILES notation for CID 159379523?
The canonical SMILES for CID 159379523 is [N-]=C=O.[Si+].
What is the InChIKey of CID 159379523?
The InChIKey is LKSOBCKVKSSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.Si/c2-1-3;/q-1;+1.
What are the key properties of CID 159379523?
CID 159379523 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 159379523 is sourced from PubChem (CID 159379523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).