1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile

C11H11ClN2 — CID 131579141

IUPAC1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(N)CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClN2/c12-10-3-1-2-8(4-10)9-5-11(14,6-9)7-13/h1-4,9H,5-6,14H2
InChIKeyQZKURXVETBQCJY-UHFFFAOYSA-N
MW206.68 g/mol
LogP2.44
Rot. Bonds1

About 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile

1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile (PubChem CID 131579141) has the molecular formula C11H11ClN2 and a molecular weight of 206.68 g/mol. Its IUPAC name is 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
PubChem CID131579141
Molecular FormulaC11H11ClN2
Molecular Weight206.68 g/mol
Exact Mass206.06
IUPAC Name1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(N)CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C11H11ClN2/c12-10-3-1-2-8(4-10)9-5-11(14,6-9)7-13/h1-4,9H,5-6,14H2
InChIKeyQZKURXVETBQCJY-UHFFFAOYSA-N
XLogP2.44
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1S,2R,3S,4R)-3-(3-chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 10847853
1-(2,6-dichlorophenyl)-3-phenylcyclobutane-1-carbonitrile
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2-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175097065
cis-(1S,3R)-3-(3-chlorophenyl)cyclohexan-1-amine
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4-amino-1-(3-chlorophenyl)sulfonylpiperidine-4-carbonitrile
CID 66817154
5-(3-chlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
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(1R,2S,3R)-1-(1-amino-2,2-dicyanoethenyl)-3-(3-chlorophenyl)cyclopropane-1,2-dicarbonitrile
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(1R,2R,3R)-1-(1-amino-2,2-dicyanoethenyl)-3-(3-chlorophenyl)cyclopropane-1,2-dicarbonitrile
CID 95166566
(1'R,5'S,6'R)-2'-amino-6'-(3-chlorophenyl)spiro[1,3-dioxolane-2,4'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 26525013

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile (CID 131579141) is 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile is N#CC1(N)CC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile?
The InChIKey is QZKURXVETBQCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2/c12-10-3-1-2-8(4-10)9-5-11(14,6-9)7-13/h1-4,9H,5-6,14H2.
What are the key properties of 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile?
1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile has a molecular weight of 206.68 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-chlorophenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 131579141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).