spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile

C18H19N3 — CID 70938687

IUPACspiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC21CCCCc2cncn21
InChIInChI=1S/C18H19N3/c19-11-14-6-7-17-15(10-14)4-3-9-18(17)8-2-1-5-16-12-20-13-21(16)18/h6-7,10,12-13H,1-5,8-9H2
InChIKeySYMPULDGCZMESB-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.56
Rot. Bonds

About spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile

spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile (PubChem CID 70938687) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile.

Molecular Properties

Compound Namespiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
PubChem CID70938687
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Namespiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile
SMILESN#Cc1ccc2c(c1)CCCC21CCCCc2cncn21
InChIInChI=1S/C18H19N3/c19-11-14-6-7-17-15(10-14)4-3-9-18(17)8-2-1-5-16-12-20-13-21(16)18/h6-7,10,12-13H,1-5,8-9H2
InChIKeySYMPULDGCZMESB-UHFFFAOYSA-N
XLogP3.56
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The IUPAC name of spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile (CID 70938687) is spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile.
What is the SMILES notation for spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The canonical SMILES for spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile is N#Cc1ccc2c(c1)CCCC21CCCCc2cncn21.
What is the InChIKey of spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
The InChIKey is SYMPULDGCZMESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c19-11-14-6-7-17-15(10-14)4-3-9-18(17)8-2-1-5-16-12-20-13-21(16)18/h6-7,10,12-13H,1-5,8-9H2.
What are the key properties of spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile?
spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile has a molecular weight of 277.37 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6,7,8,9-tetrahydroimidazo[1,5-a]azepine-5,5'-7,8-dihydro-6H-naphthalene]-2'-carbonitrile is sourced from PubChem (CID 70938687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).