CID 58896199

C4H6Y-2 — CID 58896199

IUPAC—
SMILES[CH3-].[CH][C-]=C.[Y]
InChIInChI=1S/C3H3.CH3.Y/c1-3-2;;/h1H,2H2;1H3;/q2*-1;
InChIKeyKUSLUWNCPVRVQV-UHFFFAOYSA-N
MW143.00 g/mol
LogP1.13
Rot. Bonds

About CID 58896199

CID 58896199 (PubChem CID 58896199) has the molecular formula C4H6Y-2 and a molecular weight of 143.00 g/mol.

Molecular Properties

Compound NameCID 58896199
PubChem CID58896199
Molecular FormulaC4H6Y-2
Molecular Weight143.00 g/mol
Exact Mass142.95
IUPAC Name—
SMILES[CH3-].[CH][C-]=C.[Y]
InChIInChI=1S/C3H3.CH3.Y/c1-3-2;;/h1H,2H2;1H3;/q2*-1;
InChIKeyKUSLUWNCPVRVQV-UHFFFAOYSA-N
XLogP1.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.00
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58896199?
The IUPAC name of CID 58896199 (CID 58896199) is not available.
What is the SMILES notation for CID 58896199?
The canonical SMILES for CID 58896199 is [CH3-].[CH][C-]=C.[Y].
What is the InChIKey of CID 58896199?
The InChIKey is KUSLUWNCPVRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3.CH3.Y/c1-3-2;;/h1H,2H2;1H3;/q2*-1;.
What are the key properties of CID 58896199?
CID 58896199 has a molecular weight of 143.00 g/mol, XLogP of 1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58896199 is sourced from PubChem (CID 58896199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).