5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile

C11H14N2O — CID 84771517

IUPAC5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
SMILESCC(CCN)c1ccc(O)c(C#N)c1
InChIInChI=1S/C11H14N2O/c1-8(4-5-12)9-2-3-11(14)10(6-9)7-13/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyMTRBFEXKWFIJLO-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.72
Rot. Bonds3

About 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile

5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile (PubChem CID 84771517) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
PubChem CID84771517
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile
SMILESCC(CCN)c1ccc(O)c(C#N)c1
InChIInChI=1S/C11H14N2O/c1-8(4-5-12)9-2-3-11(14)10(6-9)7-13/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyMTRBFEXKWFIJLO-UHFFFAOYSA-N
XLogP1.72
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile (CID 84771517) is 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile is CC(CCN)c1ccc(O)c(C#N)c1.
What is the InChIKey of 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile?
The InChIKey is MTRBFEXKWFIJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(4-5-12)9-2-3-11(14)10(6-9)7-13/h2-3,6,8,14H,4-5,12H2,1H3.
What are the key properties of 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile?
5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-2-hydroxybenzonitrile is sourced from PubChem (CID 84771517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).