2-aminobenzonitrile;methane

C8H10N2 — CID 175308873

IUPAC2-aminobenzonitrile;methane
SMILESC.N#Cc1ccccc1N
InChIInChI=1S/C7H6N2.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H4
InChIKeyNAJGPXCHCLFQGO-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.78
Rot. Bonds

About 2-aminobenzonitrile;methane

2-aminobenzonitrile;methane (PubChem CID 175308873) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-aminobenzonitrile;methane.

Molecular Properties

Compound Name2-aminobenzonitrile;methane
PubChem CID175308873
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-aminobenzonitrile;methane
SMILESC.N#Cc1ccccc1N
InChIInChI=1S/C7H6N2.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H4
InChIKeyNAJGPXCHCLFQGO-UHFFFAOYSA-N
XLogP1.78
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzonitrile;methane?
The IUPAC name of 2-aminobenzonitrile;methane (CID 175308873) is 2-aminobenzonitrile;methane.
What is the SMILES notation for 2-aminobenzonitrile;methane?
The canonical SMILES for 2-aminobenzonitrile;methane is C.N#Cc1ccccc1N.
What is the InChIKey of 2-aminobenzonitrile;methane?
The InChIKey is NAJGPXCHCLFQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.CH4/c8-5-6-3-1-2-4-7(6)9;/h1-4H,9H2;1H4.
What are the key properties of 2-aminobenzonitrile;methane?
2-aminobenzonitrile;methane has a molecular weight of 134.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzonitrile;methane is sourced from PubChem (CID 175308873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).