CID 175926008

C13H16LiN2O2 — CID 175926008

IUPAC—
SMILESCN(C)CCn1ccc2cc(C(=O)O)ccc21.[Li]
InChIInChI=1S/C13H16N2O2.Li/c1-14(2)7-8-15-6-5-10-9-11(13(16)17)3-4-12(10)15;/h3-6,9H,7-8H2,1-2H3,(H,16,17);
InChIKeyWINCAHFSTIIYQS-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.52
Rot. Bonds4

About CID 175926008

CID 175926008 (PubChem CID 175926008) has the molecular formula C13H16LiN2O2 and a molecular weight of 239.22 g/mol.

Molecular Properties

Compound NameCID 175926008
PubChem CID175926008
Molecular FormulaC13H16LiN2O2
Molecular Weight239.22 g/mol
Exact Mass239.14
IUPAC Name—
SMILESCN(C)CCn1ccc2cc(C(=O)O)ccc21.[Li]
InChIInChI=1S/C13H16N2O2.Li/c1-14(2)7-8-15-6-5-10-9-11(13(16)17)3-4-12(10)15;/h3-6,9H,7-8H2,1-2H3,(H,16,17);
InChIKeyWINCAHFSTIIYQS-UHFFFAOYSA-N
XLogP1.52
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175926008?
The IUPAC name of CID 175926008 (CID 175926008) is not available.
What is the SMILES notation for CID 175926008?
The canonical SMILES for CID 175926008 is CN(C)CCn1ccc2cc(C(=O)O)ccc21.[Li].
What is the InChIKey of CID 175926008?
The InChIKey is WINCAHFSTIIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.Li/c1-14(2)7-8-15-6-5-10-9-11(13(16)17)3-4-12(10)15;/h3-6,9H,7-8H2,1-2H3,(H,16,17);.
What are the key properties of CID 175926008?
CID 175926008 has a molecular weight of 239.22 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175926008 is sourced from PubChem (CID 175926008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).