azane;2-methylbenzonitrile

C8H10N2 — CID 158673628

IUPACazane;2-methylbenzonitrile
SMILESCc1ccccc1C#N.N
InChIInChI=1S/C8H7N.H3N/c1-7-4-2-3-5-8(7)6-9;/h2-5H,1H3;1H3
InChIKeyIEGAQUXJGNRJEA-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.03
Rot. Bonds

About azane;2-methylbenzonitrile

azane;2-methylbenzonitrile (PubChem CID 158673628) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is azane;2-methylbenzonitrile.

Molecular Properties

Compound Nameazane;2-methylbenzonitrile
PubChem CID158673628
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Nameazane;2-methylbenzonitrile
SMILESCc1ccccc1C#N.N
InChIInChI=1S/C8H7N.H3N/c1-7-4-2-3-5-8(7)6-9;/h2-5H,1H3;1H3
InChIKeyIEGAQUXJGNRJEA-UHFFFAOYSA-N
XLogP2.03
TPSA58.79 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylbenzonitrile
CID 162098401
methanamine;2-methylbenzonitrile
CID 144641248
azane;benzene-1,2-dicarbonitrile
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1,2-diisocyanobenzene;2-methylbenzonitrile;propane
CID 159852662
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;ethane;2-methylbenzonitrile
CID 91473726
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
azane;1,2-xylene;hydrate
CID 158522930
2-ethynyl-3-methylbenzonitrile
CID 173092424
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-(2,6-dimethylanilino)benzonitrile
CID 29041998
4-methylbenzene-1,3-dicarbonitrile
CID 10080505

Frequently Asked Questions

What is the IUPAC name of azane;2-methylbenzonitrile?
The IUPAC name of azane;2-methylbenzonitrile (CID 158673628) is azane;2-methylbenzonitrile.
What is the SMILES notation for azane;2-methylbenzonitrile?
The canonical SMILES for azane;2-methylbenzonitrile is Cc1ccccc1C#N.N.
What is the InChIKey of azane;2-methylbenzonitrile?
The InChIKey is IEGAQUXJGNRJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.H3N/c1-7-4-2-3-5-8(7)6-9;/h2-5H,1H3;1H3.
What are the key properties of azane;2-methylbenzonitrile?
azane;2-methylbenzonitrile has a molecular weight of 134.18 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-methylbenzonitrile is sourced from PubChem (CID 158673628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).