formonitrile;1,3,5-trimethylbenzene

C10H13N — CID 174826910

IUPACformonitrile;1,3,5-trimethylbenzene
SMILESC#N.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;1H
InChIKeyDNNQXFKBLHPTQH-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.75
Rot. Bonds

About formonitrile;1,3,5-trimethylbenzene

formonitrile;1,3,5-trimethylbenzene (PubChem CID 174826910) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is formonitrile;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameformonitrile;1,3,5-trimethylbenzene
PubChem CID174826910
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Nameformonitrile;1,3,5-trimethylbenzene
SMILESC#N.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;1H
InChIKeyDNNQXFKBLHPTQH-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

CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
N,N-dimethylmethanamine;1,3,5-trimethylbenzene
CID 160733965
oxophosphanium;1,3,5-trimethylbenzene
CID 162088075
difluoroxenon;1,3,5-trimethylbenzene
CID 175404691
trichlororuthenium;1,3,5-trimethylbenzene
CID 175712088
chromium;formaldehyde;1,3,5-trimethylbenzene
CID 15823960
trichloro-(3,5-dimethylphenyl)silane
CID 68659977
methylboronic acid;tris(1,3,5-trimethylbenzene)
CID 158888379
benzene-1,3,5-triol;1,3,5-trimethylbenzene
CID 175059565
phosphorosomethane;1,3,5-trimethylbenzene
CID 174873264

Frequently Asked Questions

What is the IUPAC name of formonitrile;1,3,5-trimethylbenzene?
The IUPAC name of formonitrile;1,3,5-trimethylbenzene (CID 174826910) is formonitrile;1,3,5-trimethylbenzene.
What is the SMILES notation for formonitrile;1,3,5-trimethylbenzene?
The canonical SMILES for formonitrile;1,3,5-trimethylbenzene is C#N.Cc1cc(C)cc(C)c1.
What is the InChIKey of formonitrile;1,3,5-trimethylbenzene?
The InChIKey is DNNQXFKBLHPTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CHN/c1-7-4-8(2)6-9(3)5-7;1-2/h4-6H,1-3H3;1H.
What are the key properties of formonitrile;1,3,5-trimethylbenzene?
formonitrile;1,3,5-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;1,3,5-trimethylbenzene is sourced from PubChem (CID 174826910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).