bismuthane;isocyanatobismuthane

CH8Bi3NO — CID 173301787

IUPACbismuthane;isocyanatobismuthane
SMILESO=C=N[BiH2].[BiH3].[BiH3]
InChIInChI=1S/CNO.3Bi.8H/c2-1-3;;;;;;;;;;;/q-1;;;+1;;;;;;;;
InChIKeyMHHQZPSVHOQSSR-UHFFFAOYSA-N
MW677.02 g/mol
LogP-3.50
Rot. Bonds

About bismuthane;isocyanatobismuthane

bismuthane;isocyanatobismuthane (PubChem CID 173301787) has the molecular formula CH8Bi3NO and a molecular weight of 677.02 g/mol. Its IUPAC name is bismuthane;isocyanatobismuthane.

Molecular Properties

Compound Namebismuthane;isocyanatobismuthane
PubChem CID173301787
Molecular FormulaCH8Bi3NO
Molecular Weight677.02 g/mol
Exact Mass677.00
IUPAC Namebismuthane;isocyanatobismuthane
SMILESO=C=N[BiH2].[BiH3].[BiH3]
InChIInChI=1S/CNO.3Bi.8H/c2-1-3;;;;;;;;;;;/q-1;;;+1;;;;;;;;
InChIKeyMHHQZPSVHOQSSR-UHFFFAOYSA-N
XLogP-3.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500677.02
LogP ≤ 5-3.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bismuthane;isocyanatobismuthane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxo(polanylimino)methane
CID 173033131
N-(oxomethylidene)nitramide
CID 12807142
oxo(sulfinatoimino)methane
CID 21262081
CID 87698757
CID 87698757
potassium methanidylimino(oxo)methane
CID 151867234
oxomethylidenecadmium;rhenium
CID 173440934
tetraisocyanatostannane
CID 141113751
1,1,1-trifluoro-2-isocyanatoethane
CID 10678231
methylimino(oxo)methane;N-methylmethanamine
CID 172719912
1-fluoro-2,2-bis(fluoromethyl)-3-isocyanatopropane
CID 13422498
trichloro(2-isocyanatoethyl)silane
CID 154128519
bismuth;manganese;tris(oxido(dioxo)niobium)
CID 173061692

Frequently Asked Questions

What is the IUPAC name of bismuthane;isocyanatobismuthane?
The IUPAC name of bismuthane;isocyanatobismuthane (CID 173301787) is bismuthane;isocyanatobismuthane.
What is the SMILES notation for bismuthane;isocyanatobismuthane?
The canonical SMILES for bismuthane;isocyanatobismuthane is O=C=N[BiH2].[BiH3].[BiH3].
What is the InChIKey of bismuthane;isocyanatobismuthane?
The InChIKey is MHHQZPSVHOQSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/CNO.3Bi.8H/c2-1-3;;;;;;;;;;;/q-1;;;+1;;;;;;;;.
What are the key properties of bismuthane;isocyanatobismuthane?
bismuthane;isocyanatobismuthane has a molecular weight of 677.02 g/mol, XLogP of -3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bismuthane;isocyanatobismuthane is sourced from PubChem (CID 173301787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).