5-anilino-4-hydroxypentanenitrile

C11H14N2O — CID 174778334

IUPAC5-anilino-4-hydroxypentanenitrile
SMILESN#CCCC(O)CNc1ccccc1
InChIInChI=1S/C11H14N2O/c12-8-4-7-11(14)9-13-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7,9H2
InChIKeyPEBLLQFVSYONNW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.76
Rot. Bonds5

About 5-anilino-4-hydroxypentanenitrile

5-anilino-4-hydroxypentanenitrile (PubChem CID 174778334) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-anilino-4-hydroxypentanenitrile.

Molecular Properties

Compound Name5-anilino-4-hydroxypentanenitrile
PubChem CID174778334
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-anilino-4-hydroxypentanenitrile
SMILESN#CCCC(O)CNc1ccccc1
InChIInChI=1S/C11H14N2O/c12-8-4-7-11(14)9-13-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7,9H2
InChIKeyPEBLLQFVSYONNW-UHFFFAOYSA-N
XLogP1.76
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(anilinomethyl)-4-chlorobutanenitrile
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1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
1-chloro-3-[4-(4-phenylphenyl)anilino]propan-2-ol
CID 168636829
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
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Frequently Asked Questions

What is the IUPAC name of 5-anilino-4-hydroxypentanenitrile?
The IUPAC name of 5-anilino-4-hydroxypentanenitrile (CID 174778334) is 5-anilino-4-hydroxypentanenitrile.
What is the SMILES notation for 5-anilino-4-hydroxypentanenitrile?
The canonical SMILES for 5-anilino-4-hydroxypentanenitrile is N#CCCC(O)CNc1ccccc1.
What is the InChIKey of 5-anilino-4-hydroxypentanenitrile?
The InChIKey is PEBLLQFVSYONNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-8-4-7-11(14)9-13-10-5-2-1-3-6-10/h1-3,5-6,11,13-14H,4,7,9H2.
What are the key properties of 5-anilino-4-hydroxypentanenitrile?
5-anilino-4-hydroxypentanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-4-hydroxypentanenitrile is sourced from PubChem (CID 174778334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).