CID 135259743

C10H9LiN — CID 135259743

IUPAC—
SMILESNc1cccc2ccccc12.[Li]
InChIInChI=1S/C10H9N.Li/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;
InChIKeyXVIXIJFIRYSSBB-UHFFFAOYSA-N
MW150.13 g/mol
LogP2.04
Rot. Bonds

About CID 135259743

CID 135259743 (PubChem CID 135259743) has the molecular formula C10H9LiN and a molecular weight of 150.13 g/mol.

Molecular Properties

Compound NameCID 135259743
PubChem CID135259743
Molecular FormulaC10H9LiN
Molecular Weight150.13 g/mol
Exact Mass150.09
IUPAC Name—
SMILESNc1cccc2ccccc12.[Li]
InChIInChI=1S/C10H9N.Li/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;
InChIKeyXVIXIJFIRYSSBB-UHFFFAOYSA-N
XLogP2.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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naphthalen-1-amine;naphthalen-2-amine
CID 70377972
naphthalen-1-amine;2-phenylethanamine
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Frequently Asked Questions

What is the IUPAC name of CID 135259743?
The IUPAC name of CID 135259743 (CID 135259743) is not available.
What is the SMILES notation for CID 135259743?
The canonical SMILES for CID 135259743 is Nc1cccc2ccccc12.[Li].
What is the InChIKey of CID 135259743?
The InChIKey is XVIXIJFIRYSSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.Li/c11-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,11H2;.
What are the key properties of CID 135259743?
CID 135259743 has a molecular weight of 150.13 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135259743 is sourced from PubChem (CID 135259743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).