CID 22938984

C4H4N3O3Si-3 — CID 22938984

IUPAC—
SMILESC.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Si]
InChIInChI=1S/3CNO.CH4.Si/c3*2-1-3;;/h;;;1H4;/q3*-1;;
InChIKeyRCLUKOXQHKEFEK-UHFFFAOYSA-N
MW170.18 g/mol
LogP-0.07
Rot. Bonds

About CID 22938984

CID 22938984 (PubChem CID 22938984) has the molecular formula C4H4N3O3Si-3 and a molecular weight of 170.18 g/mol.

Molecular Properties

Compound NameCID 22938984
PubChem CID22938984
Molecular FormulaC4H4N3O3Si-3
Molecular Weight170.18 g/mol
Exact Mass170.00
IUPAC Name—
SMILESC.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Si]
InChIInChI=1S/3CNO.CH4.Si/c3*2-1-3;;/h;;;1H4;/q3*-1;;
InChIKeyRCLUKOXQHKEFEK-UHFFFAOYSA-N
XLogP-0.07
TPSA118.11 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Isocyanic acid;methane;silane
CID 173031997
Isocyanic acid;methane;silane
CID 173153072
Isocyanic acid;methane;silane
CID 174505983
Methane diisocyanate
CID 22157706

Frequently Asked Questions

What is the IUPAC name of CID 22938984?
The IUPAC name of CID 22938984 (CID 22938984) is not available.
What is the SMILES notation for CID 22938984?
The canonical SMILES for CID 22938984 is C.[N-]=C=O.[N-]=C=O.[N-]=C=O.[Si].
What is the InChIKey of CID 22938984?
The InChIKey is RCLUKOXQHKEFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/3CNO.CH4.Si/c3*2-1-3;;/h;;;1H4;/q3*-1;;.
What are the key properties of CID 22938984?
CID 22938984 has a molecular weight of 170.18 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 22938984 is sourced from PubChem (CID 22938984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).