CID 154483456

C4H4NO- — CID 154483456

IUPAC—
SMILESCOC1=CN=[C-]1
InChIInChI=1S/C4H4NO/c1-6-4-2-5-3-4/h2H,1H3/q-1
InChIKeyZSVJESMGUPPBHB-UHFFFAOYSA-N
MW82.08 g/mol
LogP0.44
Rot. Bonds1

About CID 154483456

CID 154483456 (PubChem CID 154483456) has the molecular formula C4H4NO- and a molecular weight of 82.08 g/mol.

Molecular Properties

Compound NameCID 154483456
PubChem CID154483456
Molecular FormulaC4H4NO-
Molecular Weight82.08 g/mol
Exact Mass82.03
IUPAC Name—
SMILESCOC1=CN=[C-]1
InChIInChI=1S/C4H4NO/c1-6-4-2-5-3-4/h2H,1H3/q-1
InChIKeyZSVJESMGUPPBHB-UHFFFAOYSA-N
XLogP0.44
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.08
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 154483456?
The IUPAC name of CID 154483456 (CID 154483456) is not available.
What is the SMILES notation for CID 154483456?
The canonical SMILES for CID 154483456 is COC1=CN=[C-]1.
What is the InChIKey of CID 154483456?
The InChIKey is ZSVJESMGUPPBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO/c1-6-4-2-5-3-4/h2H,1H3/q-1.
What are the key properties of CID 154483456?
CID 154483456 has a molecular weight of 82.08 g/mol, XLogP of 0.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154483456 is sourced from PubChem (CID 154483456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).