CID 58579792

C5H6NY- — CID 58579792

IUPAC—
SMILES[CH]C=C/[C-]=N/C.[Y]
InChIInChI=1S/C5H6N.Y/c1-3-4-5-6-2;/h1,3-4H,2H3;/q-1;
InChIKeyYJOAXBWZJNSCJD-UHFFFAOYSA-N
MW169.02 g/mol
LogP0.83
Rot. Bonds1

About CID 58579792

CID 58579792 (PubChem CID 58579792) has the molecular formula C5H6NY- and a molecular weight of 169.02 g/mol.

Molecular Properties

Compound NameCID 58579792
PubChem CID58579792
Molecular FormulaC5H6NY-
Molecular Weight169.02 g/mol
Exact Mass168.96
IUPAC Name—
SMILES[CH]C=C/[C-]=N/C.[Y]
InChIInChI=1S/C5H6N.Y/c1-3-4-5-6-2;/h1,3-4H,2H3;/q-1;
InChIKeyYJOAXBWZJNSCJD-UHFFFAOYSA-N
XLogP0.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.02
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58579792?
The IUPAC name of CID 58579792 (CID 58579792) is not available.
What is the SMILES notation for CID 58579792?
The canonical SMILES for CID 58579792 is [CH]C=C/[C-]=N/C.[Y].
What is the InChIKey of CID 58579792?
The InChIKey is YJOAXBWZJNSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N.Y/c1-3-4-5-6-2;/h1,3-4H,2H3;/q-1;.
What are the key properties of CID 58579792?
CID 58579792 has a molecular weight of 169.02 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58579792 is sourced from PubChem (CID 58579792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).