CID 170954204

C13H23LrN2-3 — CID 170954204

IUPAC—
SMILESCCN1C=C[C-](C)N=CC1=C(C)C.[CH3-].[CH3-].[Lr]
InChIInChI=1S/C11H17N2.2CH3.Lr/c1-5-13-7-6-10(4)12-8-11(13)9(2)3;;;/h6-8H,5H2,1-4H3;2*1H3;/q3*-1;
InChIKeyQJIXQKUHDSOGJK-UHFFFAOYSA-N
MW469.34 g/mol
LogP3.65
Rot. Bonds1

About CID 170954204

CID 170954204 (PubChem CID 170954204) has the molecular formula C13H23LrN2-3 and a molecular weight of 469.34 g/mol.

Molecular Properties

Compound NameCID 170954204
PubChem CID170954204
Molecular FormulaC13H23LrN2-3
Molecular Weight469.34 g/mol
Exact Mass469.30
IUPAC Name—
SMILESCCN1C=C[C-](C)N=CC1=C(C)C.[CH3-].[CH3-].[Lr]
InChIInChI=1S/C11H17N2.2CH3.Lr/c1-5-13-7-6-10(4)12-8-11(13)9(2)3;;;/h6-8H,5H2,1-4H3;2*1H3;/q3*-1;
InChIKeyQJIXQKUHDSOGJK-UHFFFAOYSA-N
XLogP3.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.65
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 170954204?
The IUPAC name of CID 170954204 (CID 170954204) is not available.
What is the SMILES notation for CID 170954204?
The canonical SMILES for CID 170954204 is CCN1C=C[C-](C)N=CC1=C(C)C.[CH3-].[CH3-].[Lr].
What is the InChIKey of CID 170954204?
The InChIKey is QJIXQKUHDSOGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N2.2CH3.Lr/c1-5-13-7-6-10(4)12-8-11(13)9(2)3;;;/h6-8H,5H2,1-4H3;2*1H3;/q3*-1;.
What are the key properties of CID 170954204?
CID 170954204 has a molecular weight of 469.34 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170954204 is sourced from PubChem (CID 170954204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).