2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile

C10H9N — CID 66419895

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
SMILESN#CCC1Cc2ccccc21
InChIInChI=1S/C10H9N/c11-6-5-9-7-8-3-1-2-4-10(8)9/h1-4,9H,5,7H2
InChIKeyZBPBTLRUNVTPAJ-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.24
Rot. Bonds1

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile (PubChem CID 66419895) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
PubChem CID66419895
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile
SMILESN#CCC1Cc2ccccc21
InChIInChI=1S/C10H9N/c11-6-5-9-7-8-3-1-2-4-10(8)9/h1-4,9H,5,7H2
InChIKeyZBPBTLRUNVTPAJ-UHFFFAOYSA-N
XLogP2.24
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cycloheptane-1-carbonitrile
CID 114277419
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)benzonitrile
CID 66419876
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
CID 66408882
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)cyclopentane-1-carbonitrile
CID 66397152
N-[2-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 147490367
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 60815385
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105220809
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,1,3,3-tetramethylguanidine
CID 111073437
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanopropane-1-sulfonamide
CID 66408014
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylbenzonitrile
CID 107107023

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile (CID 66419895) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile is N#CCC1Cc2ccccc21.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile?
The InChIKey is ZBPBTLRUNVTPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c11-6-5-9-7-8-3-1-2-4-10(8)9/h1-4,9H,5,7H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile has a molecular weight of 143.19 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)acetonitrile is sourced from PubChem (CID 66419895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).