CID 154673484

C12H19LrN-2 — CID 154673484

IUPAC—
SMILESC[C-]1C=CC(C(C)(C)C)=CC=N1.[CH3-].[Lr]
InChIInChI=1S/C11H16N.CH3.Lr/c1-9-5-6-10(7-8-12-9)11(2,3)4;;/h5-8H,1-4H3;1H3;/q2*-1;
InChIKeyDCLNQFLWEAQRDU-UHFFFAOYSA-N
MW439.29 g/mol
LogP3.60
Rot. Bonds

About CID 154673484

CID 154673484 (PubChem CID 154673484) has the molecular formula C12H19LrN-2 and a molecular weight of 439.29 g/mol.

Molecular Properties

Compound NameCID 154673484
PubChem CID154673484
Molecular FormulaC12H19LrN-2
Molecular Weight439.29 g/mol
Exact Mass439.26
IUPAC Name—
SMILESC[C-]1C=CC(C(C)(C)C)=CC=N1.[CH3-].[Lr]
InChIInChI=1S/C11H16N.CH3.Lr/c1-9-5-6-10(7-8-12-9)11(2,3)4;;/h5-8H,1-4H3;1H3;/q2*-1;
InChIKeyDCLNQFLWEAQRDU-UHFFFAOYSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.29
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 154673484?
The IUPAC name of CID 154673484 (CID 154673484) is not available.
What is the SMILES notation for CID 154673484?
The canonical SMILES for CID 154673484 is C[C-]1C=CC(C(C)(C)C)=CC=N1.[CH3-].[Lr].
What is the InChIKey of CID 154673484?
The InChIKey is DCLNQFLWEAQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N.CH3.Lr/c1-9-5-6-10(7-8-12-9)11(2,3)4;;/h5-8H,1-4H3;1H3;/q2*-1;.
What are the key properties of CID 154673484?
CID 154673484 has a molecular weight of 439.29 g/mol, XLogP of 3.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154673484 is sourced from PubChem (CID 154673484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).