CID 135024515

C13H14LiNO2 — CID 135024515

IUPAC—
SMILESCC1(C)COC(C2(c3ccccc3)[CH-]O2)=N1.[Li+]
InChIInChI=1S/C13H14NO2.Li/c1-12(2)8-15-11(14-12)13(9-16-13)10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3;/q-1;+1
InChIKeyGIALFGSNHDVQBJ-UHFFFAOYSA-N
MW223.20 g/mol
LogP-0.71
Rot. Bonds2

About CID 135024515

CID 135024515 (PubChem CID 135024515) has the molecular formula C13H14LiNO2 and a molecular weight of 223.20 g/mol.

Molecular Properties

Compound NameCID 135024515
PubChem CID135024515
Molecular FormulaC13H14LiNO2
Molecular Weight223.20 g/mol
Exact Mass223.12
IUPAC Name—
SMILESCC1(C)COC(C2(c3ccccc3)[CH-]O2)=N1.[Li+]
InChIInChI=1S/C13H14NO2.Li/c1-12(2)8-15-11(14-12)13(9-16-13)10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3;/q-1;+1
InChIKeyGIALFGSNHDVQBJ-UHFFFAOYSA-N
XLogP-0.71
TPSA34.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135024515?
The IUPAC name of CID 135024515 (CID 135024515) is not available.
What is the SMILES notation for CID 135024515?
The canonical SMILES for CID 135024515 is CC1(C)COC(C2(c3ccccc3)[CH-]O2)=N1.[Li+].
What is the InChIKey of CID 135024515?
The InChIKey is GIALFGSNHDVQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO2.Li/c1-12(2)8-15-11(14-12)13(9-16-13)10-6-4-3-5-7-10;/h3-7,9H,8H2,1-2H3;/q-1;+1.
What are the key properties of CID 135024515?
CID 135024515 has a molecular weight of 223.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135024515 is sourced from PubChem (CID 135024515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).