CID 156794075

C10H11KN2O — CID 156794075

IUPAC—
SMILESC[C-]1C=CC2=C(C=N1)C(=O)N(C)C2.[K+]
InChIInChI=1S/C10H11N2O.K/c1-7-3-4-8-6-12(2)10(13)9(8)5-11-7;/h3-5H,6H2,1-2H3;/q-1;+1
InChIKeyRQKXEKDFWHFKHB-UHFFFAOYSA-N
MW214.31 g/mol
LogP-2.05
Rot. Bonds

About CID 156794075

CID 156794075 (PubChem CID 156794075) has the molecular formula C10H11KN2O and a molecular weight of 214.31 g/mol.

Molecular Properties

Compound NameCID 156794075
PubChem CID156794075
Molecular FormulaC10H11KN2O
Molecular Weight214.31 g/mol
Exact Mass214.05
IUPAC Name—
SMILESC[C-]1C=CC2=C(C=N1)C(=O)N(C)C2.[K+]
InChIInChI=1S/C10H11N2O.K/c1-7-3-4-8-6-12(2)10(13)9(8)5-11-7;/h3-5H,6H2,1-2H3;/q-1;+1
InChIKeyRQKXEKDFWHFKHB-UHFFFAOYSA-N
XLogP-2.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-2.05
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 156794075?
The IUPAC name of CID 156794075 (CID 156794075) is not available.
What is the SMILES notation for CID 156794075?
The canonical SMILES for CID 156794075 is C[C-]1C=CC2=C(C=N1)C(=O)N(C)C2.[K+].
What is the InChIKey of CID 156794075?
The InChIKey is RQKXEKDFWHFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2O.K/c1-7-3-4-8-6-12(2)10(13)9(8)5-11-7;/h3-5H,6H2,1-2H3;/q-1;+1.
What are the key properties of CID 156794075?
CID 156794075 has a molecular weight of 214.31 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156794075 is sourced from PubChem (CID 156794075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).