CID 153340922

C10H13KN2O — CID 153340922

IUPAC—
SMILESCC.O=C1NCC2=C1C=C[CH-]C=N2.[K+]
InChIInChI=1S/C8H7N2O.C2H6.K/c11-8-6-3-1-2-4-9-7(6)5-10-8;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1
InChIKeyNBKNKGFNWGIJDY-UHFFFAOYSA-N
MW216.33 g/mol
LogP-1.75
Rot. Bonds

About CID 153340922

CID 153340922 (PubChem CID 153340922) has the molecular formula C10H13KN2O and a molecular weight of 216.33 g/mol.

Molecular Properties

Compound NameCID 153340922
PubChem CID153340922
Molecular FormulaC10H13KN2O
Molecular Weight216.33 g/mol
Exact Mass216.07
IUPAC Name—
SMILESCC.O=C1NCC2=C1C=C[CH-]C=N2.[K+]
InChIInChI=1S/C8H7N2O.C2H6.K/c11-8-6-3-1-2-4-9-7(6)5-10-8;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1
InChIKeyNBKNKGFNWGIJDY-UHFFFAOYSA-N
XLogP-1.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
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 153340922?
The IUPAC name of CID 153340922 (CID 153340922) is not available.
What is the SMILES notation for CID 153340922?
The canonical SMILES for CID 153340922 is CC.O=C1NCC2=C1C=C[CH-]C=N2.[K+].
What is the InChIKey of CID 153340922?
The InChIKey is NBKNKGFNWGIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2O.C2H6.K/c11-8-6-3-1-2-4-9-7(6)5-10-8;1-2;/h1-4H,5H2,(H,10,11);1-2H3;/q-1;;+1.
What are the key properties of CID 153340922?
CID 153340922 has a molecular weight of 216.33 g/mol, XLogP of -1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153340922 is sourced from PubChem (CID 153340922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).