CID 156794152

C9H9KN2O — CID 156794152

IUPAC—
SMILESCN1CC2=C(N=C[CH-]C=C2)C1=O.[K+]
InChIInChI=1S/C9H9N2O.K/c1-11-6-7-4-2-3-5-10-8(7)9(11)12;/h2-5H,6H2,1H3;/q-1;+1
InChIKeyHSHPPNQIWKKAEJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP-2.44
Rot. Bonds

About CID 156794152

CID 156794152 (PubChem CID 156794152) has the molecular formula C9H9KN2O and a molecular weight of 200.28 g/mol.

Molecular Properties

Compound NameCID 156794152
PubChem CID156794152
Molecular FormulaC9H9KN2O
Molecular Weight200.28 g/mol
Exact Mass200.04
IUPAC Name—
SMILESCN1CC2=C(N=C[CH-]C=C2)C1=O.[K+]
InChIInChI=1S/C9H9N2O.K/c1-11-6-7-4-2-3-5-10-8(7)9(11)12;/h2-5H,6H2,1H3;/q-1;+1
InChIKeyHSHPPNQIWKKAEJ-UHFFFAOYSA-N
XLogP-2.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-2.44
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 156794152?
The IUPAC name of CID 156794152 (CID 156794152) is not available.
What is the SMILES notation for CID 156794152?
The canonical SMILES for CID 156794152 is CN1CC2=C(N=C[CH-]C=C2)C1=O.[K+].
What is the InChIKey of CID 156794152?
The InChIKey is HSHPPNQIWKKAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2O.K/c1-11-6-7-4-2-3-5-10-8(7)9(11)12;/h2-5H,6H2,1H3;/q-1;+1.
What are the key properties of CID 156794152?
CID 156794152 has a molecular weight of 200.28 g/mol, XLogP of -2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156794152 is sourced from PubChem (CID 156794152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).