N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide

C15H16N2O — CID 78995107

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2Cc3ccccc32)CCC1
InChIInChI=1S/C15H16N2O/c16-10-15(6-3-7-15)14(18)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-9H2,(H,17,18)
InChIKeyGQZBMVXSBKUBPG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.14
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 78995107) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
PubChem CID78995107
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCC2Cc3ccccc32)CCC1
InChIInChI=1S/C15H16N2O/c16-10-15(6-3-7-15)14(18)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-9H2,(H,17,18)
InChIKeyGQZBMVXSBKUBPG-UHFFFAOYSA-N
XLogP2.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclobutane-1-carboxamide
CID 81179569
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxane-4-carboxamide
CID 115294070
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
1-[(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446922
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071732
1-(aminomethyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylcyclohexane-1-carboxamide
CID 115441643
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-ethylbutanamide
CID 66408882
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyano-2-phenylacetamide
CID 66408451
1-cyano-N-(1,2,3,4-tetrahydronaphthalen-1-yl)cyclobutane-1-carboxamide
CID 78994938
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 106813123
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpropanamide
CID 60810919

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide (CID 78995107) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)NCC2Cc3ccccc32)CCC1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is GQZBMVXSBKUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c16-10-15(6-3-7-15)14(18)17-9-12-8-11-4-1-2-5-13(11)12/h1-2,4-5,12H,3,6-9H2,(H,17,18).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 78995107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).