azetidine-3-carbonitrile;benzylbenzene

C17H18N2 — CID 175590459

IUPACazetidine-3-carbonitrile;benzylbenzene
SMILESN#CC1CNC1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C4H6N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5-1-4-2-6-3-4/h1-10H,11H2;4,6H,2-3H2
InChIKeyIVLLYAXFZNOEKB-UHFFFAOYSA-N
MW250.35 g/mol
LogP3.01
Rot. Bonds2

About azetidine-3-carbonitrile;benzylbenzene

azetidine-3-carbonitrile;benzylbenzene (PubChem CID 175590459) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is azetidine-3-carbonitrile;benzylbenzene.

Molecular Properties

Compound Nameazetidine-3-carbonitrile;benzylbenzene
PubChem CID175590459
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Nameazetidine-3-carbonitrile;benzylbenzene
SMILESN#CC1CNC1.c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C13H12.C4H6N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5-1-4-2-6-3-4/h1-10H,11H2;4,6H,2-3H2
InChIKeyIVLLYAXFZNOEKB-UHFFFAOYSA-N
XLogP3.01
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidine-3-carbonitrile;benzylbenzene?
The IUPAC name of azetidine-3-carbonitrile;benzylbenzene (CID 175590459) is azetidine-3-carbonitrile;benzylbenzene.
What is the SMILES notation for azetidine-3-carbonitrile;benzylbenzene?
The canonical SMILES for azetidine-3-carbonitrile;benzylbenzene is N#CC1CNC1.c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of azetidine-3-carbonitrile;benzylbenzene?
The InChIKey is IVLLYAXFZNOEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12.C4H6N2/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;5-1-4-2-6-3-4/h1-10H,11H2;4,6H,2-3H2.
What are the key properties of azetidine-3-carbonitrile;benzylbenzene?
azetidine-3-carbonitrile;benzylbenzene has a molecular weight of 250.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine-3-carbonitrile;benzylbenzene is sourced from PubChem (CID 175590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).