acetonitrile;biphenylene

C14H11N — CID 23213528

IUPACacetonitrile;biphenylene
SMILESCC#N.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C2H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-3/h1-8H;1H3
InChIKeyYTWSADIVXQJSJH-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.86
Rot. Bonds

About acetonitrile;biphenylene

acetonitrile;biphenylene (PubChem CID 23213528) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is acetonitrile;biphenylene.

Molecular Properties

Compound Nameacetonitrile;biphenylene
PubChem CID23213528
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Nameacetonitrile;biphenylene
SMILESCC#N.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C2H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-3/h1-8H;1H3
InChIKeyYTWSADIVXQJSJH-UHFFFAOYSA-N
XLogP3.86
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;biphenylene?
The IUPAC name of acetonitrile;biphenylene (CID 23213528) is acetonitrile;biphenylene.
What is the SMILES notation for acetonitrile;biphenylene?
The canonical SMILES for acetonitrile;biphenylene is CC#N.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of acetonitrile;biphenylene?
The InChIKey is YTWSADIVXQJSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C2H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2-3/h1-8H;1H3.
What are the key properties of acetonitrile;biphenylene?
acetonitrile;biphenylene has a molecular weight of 193.25 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;biphenylene is sourced from PubChem (CID 23213528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).