formonitrile;1,2,4-trimethylbenzene

C10H13N — CID 90728107

IUPACformonitrile;1,2,4-trimethylbenzene
SMILESC#N.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.CHN/c1-7-4-5-8(2)9(3)6-7;1-2/h4-6H,1-3H3;1H
InChIKeyTVSVKZNLDZECIT-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.75
Rot. Bonds

About formonitrile;1,2,4-trimethylbenzene

formonitrile;1,2,4-trimethylbenzene (PubChem CID 90728107) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is formonitrile;1,2,4-trimethylbenzene.

Molecular Properties

Compound Nameformonitrile;1,2,4-trimethylbenzene
PubChem CID90728107
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Nameformonitrile;1,2,4-trimethylbenzene
SMILESC#N.Cc1ccc(C)c(C)c1
InChIInChI=1S/C9H12.CHN/c1-7-4-5-8(2)9(3)6-7;1-2/h4-6H,1-3H3;1H
InChIKeyTVSVKZNLDZECIT-UHFFFAOYSA-N
XLogP2.75
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4-trimethylbenzene
CID 7247
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895
ethane;ethene;methane;1,2,4-trimethylbenzene
CID 144526220
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
1,2,3,5-tetramethylbenzene;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 157447220
ethene;2-methylpropane;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene
CID 144914268
methyl formate;1,2,4-trimethylbenzene
CID 143881724
toluene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 161480766
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883

Frequently Asked Questions

What is the IUPAC name of formonitrile;1,2,4-trimethylbenzene?
The IUPAC name of formonitrile;1,2,4-trimethylbenzene (CID 90728107) is formonitrile;1,2,4-trimethylbenzene.
What is the SMILES notation for formonitrile;1,2,4-trimethylbenzene?
The canonical SMILES for formonitrile;1,2,4-trimethylbenzene is C#N.Cc1ccc(C)c(C)c1.
What is the InChIKey of formonitrile;1,2,4-trimethylbenzene?
The InChIKey is TVSVKZNLDZECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CHN/c1-7-4-5-8(2)9(3)6-7;1-2/h4-6H,1-3H3;1H.
What are the key properties of formonitrile;1,2,4-trimethylbenzene?
formonitrile;1,2,4-trimethylbenzene has a molecular weight of 147.22 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1,2,4-trimethylbenzene is sourced from PubChem (CID 90728107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).