platinum;prop-2-enenitrile

C3H3NPt — CID 159226691

IUPACplatinum;prop-2-enenitrile
SMILESC=CC#N.[Pt]
InChIInChI=1S/C3H3N.Pt/c1-2-3-4;/h2H,1H2;
InChIKeyKSJJRRXQSGYOGE-UHFFFAOYSA-N
MW248.14 g/mol
LogP0.69
Rot. Bonds

About platinum;prop-2-enenitrile

platinum;prop-2-enenitrile (PubChem CID 159226691) has the molecular formula C3H3NPt and a molecular weight of 248.14 g/mol. Its IUPAC name is platinum;prop-2-enenitrile.

Molecular Properties

Compound Nameplatinum;prop-2-enenitrile
PubChem CID159226691
Molecular FormulaC3H3NPt
Molecular Weight248.14 g/mol
Exact Mass247.99
IUPAC Nameplatinum;prop-2-enenitrile
SMILESC=CC#N.[Pt]
InChIInChI=1S/C3H3N.Pt/c1-2-3-4;/h2H,1H2;
InChIKeyKSJJRRXQSGYOGE-UHFFFAOYSA-N
XLogP0.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 50.69
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 platinum;prop-2-enenitrile?
The IUPAC name of platinum;prop-2-enenitrile (CID 159226691) is platinum;prop-2-enenitrile.
What is the SMILES notation for platinum;prop-2-enenitrile?
The canonical SMILES for platinum;prop-2-enenitrile is C=CC#N.[Pt].
What is the InChIKey of platinum;prop-2-enenitrile?
The InChIKey is KSJJRRXQSGYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N.Pt/c1-2-3-4;/h2H,1H2;.
What are the key properties of platinum;prop-2-enenitrile?
platinum;prop-2-enenitrile has a molecular weight of 248.14 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for platinum;prop-2-enenitrile is sourced from PubChem (CID 159226691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).