4-(1-aminocyclobutyl)benzonitrile;hydrochloride

C11H13ClN2 — CID 71742690

IUPAC4-(1-aminocyclobutyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C11H12N2.ClH/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11;/h2-5H,1,6-7,13H2;1H
InChIKeyXLKWXFVWNHPDQY-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.32
Rot. Bonds1

About 4-(1-aminocyclobutyl)benzonitrile;hydrochloride

4-(1-aminocyclobutyl)benzonitrile;hydrochloride (PubChem CID 71742690) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 4-(1-aminocyclobutyl)benzonitrile;hydrochloride.

Molecular Properties

Compound Name4-(1-aminocyclobutyl)benzonitrile;hydrochloride
PubChem CID71742690
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name4-(1-aminocyclobutyl)benzonitrile;hydrochloride
SMILESCl.N#Cc1ccc(C2(N)CCC2)cc1
InChIInChI=1S/C11H12N2.ClH/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11;/h2-5H,1,6-7,13H2;1H
InChIKeyXLKWXFVWNHPDQY-UHFFFAOYSA-N
XLogP2.32
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclobutyl)benzonitrile;hydrochloride?
The IUPAC name of 4-(1-aminocyclobutyl)benzonitrile;hydrochloride (CID 71742690) is 4-(1-aminocyclobutyl)benzonitrile;hydrochloride.
What is the SMILES notation for 4-(1-aminocyclobutyl)benzonitrile;hydrochloride?
The canonical SMILES for 4-(1-aminocyclobutyl)benzonitrile;hydrochloride is Cl.N#Cc1ccc(C2(N)CCC2)cc1.
What is the InChIKey of 4-(1-aminocyclobutyl)benzonitrile;hydrochloride?
The InChIKey is XLKWXFVWNHPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c12-8-9-2-4-10(5-3-9)11(13)6-1-7-11;/h2-5H,1,6-7,13H2;1H.
What are the key properties of 4-(1-aminocyclobutyl)benzonitrile;hydrochloride?
4-(1-aminocyclobutyl)benzonitrile;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclobutyl)benzonitrile;hydrochloride is sourced from PubChem (CID 71742690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).