but-3-enenitrile;rhenium

C4H4NRe- — CID 155688776

IUPACbut-3-enenitrile;rhenium
SMILES[H]/[C-]=C\CC#N.[Re]
InChIInChI=1S/C4H4N.Re/c1-2-3-4-5;/h1-2H,3H2;/q-1;
InChIKeyHUACDTJVNUKQNR-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.89
Rot. Bonds1

About but-3-enenitrile;rhenium

but-3-enenitrile;rhenium (PubChem CID 155688776) has the molecular formula C4H4NRe- and a molecular weight of 252.29 g/mol. Its IUPAC name is but-3-enenitrile;rhenium.

Molecular Properties

Compound Namebut-3-enenitrile;rhenium
PubChem CID155688776
Molecular FormulaC4H4NRe-
Molecular Weight252.29 g/mol
Exact Mass252.99
IUPAC Namebut-3-enenitrile;rhenium
SMILES[H]/[C-]=C\CC#N.[Re]
InChIInChI=1S/C4H4N.Re/c1-2-3-4-5;/h1-2H,3H2;/q-1;
InChIKeyHUACDTJVNUKQNR-UHFFFAOYSA-N
XLogP0.89
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze but-3-enenitrile;rhenium 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

2-cyanoethylidenecyanamide
CID 21427158
5-oxopent-3-enenitrile
CID 57304287
pent-3-enenitrile
CID 158010428
3-diazopropanenitrile
CID 19980773
cyanophosphanium
CID 23594344
(E)-5-iminopent-3-enenitrile
CID 123602892
(E)-5-hydroxypent-3-enenitrile
CID 15256586
benzene;but-3-enenitrile
CID 174828108
CID 102411509
CID 102411509
furan;3-oxopropanenitrile
CID 174832907
3-trimethylsilyloxyiminopropanenitrile
CID 140887410
3-cyclohexyliminopropanenitrile
CID 54514865

Frequently Asked Questions

What is the IUPAC name of but-3-enenitrile;rhenium?
The IUPAC name of but-3-enenitrile;rhenium (CID 155688776) is but-3-enenitrile;rhenium.
What is the SMILES notation for but-3-enenitrile;rhenium?
The canonical SMILES for but-3-enenitrile;rhenium is [H]/[C-]=C\CC#N.[Re].
What is the InChIKey of but-3-enenitrile;rhenium?
The InChIKey is HUACDTJVNUKQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.Re/c1-2-3-4-5;/h1-2H,3H2;/q-1;.
What are the key properties of but-3-enenitrile;rhenium?
but-3-enenitrile;rhenium has a molecular weight of 252.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enenitrile;rhenium is sourced from PubChem (CID 155688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).