2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile

C11H12N2O — CID 154117536

IUPAC2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(O)cc2)CCC1N
InChIInChI=1S/C11H12N2O/c12-7-11(6-5-10(11)13)8-1-3-9(14)4-2-8/h1-4,10,14H,5-6,13H2
InChIKeyFISSTSPHTISYPM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile

2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile (PubChem CID 154117536) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile
PubChem CID154117536
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2ccc(O)cc2)CCC1N
InChIInChI=1S/C11H12N2O/c12-7-11(6-5-10(11)13)8-1-3-9(14)4-2-8/h1-4,10,14H,5-6,13H2
InChIKeyFISSTSPHTISYPM-UHFFFAOYSA-N
XLogP1.27
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile (CID 154117536) is 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile is N#CC1(c2ccc(O)cc2)CCC1N.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile?
The InChIKey is FISSTSPHTISYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-7-11(6-5-10(11)13)8-1-3-9(14)4-2-8/h1-4,10,14H,5-6,13H2.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile?
2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxyphenyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 154117536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).