CID 156794077

C12H19KN2 — CID 156794077

IUPAC—
SMILESCC.C[C-]1C=CC2=C(C=N1)N(C)CC2.[K+]
InChIInChI=1S/C10H13N2.C2H6.K/c1-8-3-4-9-5-6-12(2)10(9)7-11-8;1-2;/h3-4,7H,5-6H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyLBNXSIIOCVBGRU-UHFFFAOYSA-N
MW230.40 g/mol
LogP-0.20
Rot. Bonds

About CID 156794077

CID 156794077 (PubChem CID 156794077) has the molecular formula C12H19KN2 and a molecular weight of 230.40 g/mol.

Molecular Properties

Compound NameCID 156794077
PubChem CID156794077
Molecular FormulaC12H19KN2
Molecular Weight230.40 g/mol
Exact Mass230.12
IUPAC Name—
SMILESCC.C[C-]1C=CC2=C(C=N1)N(C)CC2.[K+]
InChIInChI=1S/C10H13N2.C2H6.K/c1-8-3-4-9-5-6-12(2)10(9)7-11-8;1-2;/h3-4,7H,5-6H2,1-2H3;1-2H3;/q-1;;+1
InChIKeyLBNXSIIOCVBGRU-UHFFFAOYSA-N
XLogP-0.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 5-0.20
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 156794077?
The IUPAC name of CID 156794077 (CID 156794077) is not available.
What is the SMILES notation for CID 156794077?
The canonical SMILES for CID 156794077 is CC.C[C-]1C=CC2=C(C=N1)N(C)CC2.[K+].
What is the InChIKey of CID 156794077?
The InChIKey is LBNXSIIOCVBGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N2.C2H6.K/c1-8-3-4-9-5-6-12(2)10(9)7-11-8;1-2;/h3-4,7H,5-6H2,1-2H3;1-2H3;/q-1;;+1.
What are the key properties of CID 156794077?
CID 156794077 has a molecular weight of 230.40 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156794077 is sourced from PubChem (CID 156794077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).