CID 163776931

C3H3NSn — CID 163776931

IUPAC—
SMILESC=CC#N.[Sn]
InChIInChI=1S/C3H3N.Sn/c1-2-3-4;/h2H,1H2;
InChIKeyMLGUSTVNQHNJHN-UHFFFAOYSA-N
MW171.77 g/mol
LogP0.32
Rot. Bonds

About CID 163776931

CID 163776931 (PubChem CID 163776931) has the molecular formula C3H3NSn and a molecular weight of 171.77 g/mol.

Molecular Properties

Compound NameCID 163776931
PubChem CID163776931
Molecular FormulaC3H3NSn
Molecular Weight171.77 g/mol
Exact Mass172.93
IUPAC Name—
SMILESC=CC#N.[Sn]
InChIInChI=1S/C3H3N.Sn/c1-2-3-4;/h2H,1H2;
InChIKeyMLGUSTVNQHNJHN-UHFFFAOYSA-N
XLogP0.32
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.77
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 163776931?
The IUPAC name of CID 163776931 (CID 163776931) is not available.
What is the SMILES notation for CID 163776931?
The canonical SMILES for CID 163776931 is C=CC#N.[Sn].
What is the InChIKey of CID 163776931?
The InChIKey is MLGUSTVNQHNJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.Sn/c1-2-3-4;/h2H,1H2;.
What are the key properties of CID 163776931?
CID 163776931 has a molecular weight of 171.77 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163776931 is sourced from PubChem (CID 163776931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).