2-(3-aminobutyl)-5-hydroxybenzonitrile

C11H14N2O — CID 130054358

IUPAC2-(3-aminobutyl)-5-hydroxybenzonitrile
SMILESCC(N)CCc1ccc(O)cc1C#N
InChIInChI=1S/C11H14N2O/c1-8(13)2-3-9-4-5-11(14)6-10(9)7-12/h4-6,8,14H,2-3,13H2,1H3
InChIKeyPRECISGPNGFLKG-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-aminobutyl)-5-hydroxybenzonitrile

2-(3-aminobutyl)-5-hydroxybenzonitrile (PubChem CID 130054358) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(3-aminobutyl)-5-hydroxybenzonitrile.

Molecular Properties

Compound Name2-(3-aminobutyl)-5-hydroxybenzonitrile
PubChem CID130054358
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(3-aminobutyl)-5-hydroxybenzonitrile
SMILESCC(N)CCc1ccc(O)cc1C#N
InChIInChI=1S/C11H14N2O/c1-8(13)2-3-9-4-5-11(14)6-10(9)7-12/h4-6,8,14H,2-3,13H2,1H3
InChIKeyPRECISGPNGFLKG-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-5-hydroxybenzonitrile?
The IUPAC name of 2-(3-aminobutyl)-5-hydroxybenzonitrile (CID 130054358) is 2-(3-aminobutyl)-5-hydroxybenzonitrile.
What is the SMILES notation for 2-(3-aminobutyl)-5-hydroxybenzonitrile?
The canonical SMILES for 2-(3-aminobutyl)-5-hydroxybenzonitrile is CC(N)CCc1ccc(O)cc1C#N.
What is the InChIKey of 2-(3-aminobutyl)-5-hydroxybenzonitrile?
The InChIKey is PRECISGPNGFLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(13)2-3-9-4-5-11(14)6-10(9)7-12/h4-6,8,14H,2-3,13H2,1H3.
What are the key properties of 2-(3-aminobutyl)-5-hydroxybenzonitrile?
2-(3-aminobutyl)-5-hydroxybenzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-5-hydroxybenzonitrile is sourced from PubChem (CID 130054358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).