3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile

C11H20N2O — CID 114797618

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(CCO)C1
InChIInChI=1S/C11H20N2O/c1-2-11(3-6-12)13-7-4-10(9-13)5-8-14/h10-11,14H,2-5,7-9H2,1H3
InChIKeyZDZIEHKXNDKIEQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.38
Rot. Bonds5

About 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile (PubChem CID 114797618) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
PubChem CID114797618
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CCC(CCO)C1
InChIInChI=1S/C11H20N2O/c1-2-11(3-6-12)13-7-4-10(9-13)5-8-14/h10-11,14H,2-5,7-9H2,1H3
InChIKeyZDZIEHKXNDKIEQ-UHFFFAOYSA-N
XLogP1.38
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1-aminoethyl)pyrrolidin-1-yl]pentanenitrile
CID 103976557
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63241803
2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
CID 62357327
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pentanenitrile
CID 79938597
3-(4,4-dimethylpiperidin-1-yl)pentanenitrile
CID 62935700
3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile
CID 114797591
3-[4-(hydroxymethyl)piperidin-1-yl]butanenitrile
CID 60913650
3-(3-hydroxy-5-methylpiperidin-1-yl)pentanenitrile
CID 130802981
3-[2-(aminomethyl)morpholin-4-yl]pentanenitrile
CID 114398825
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile (CID 114797618) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CCC(CCO)C1.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile?
The InChIKey is ZDZIEHKXNDKIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-11(3-6-12)13-7-4-10(9-13)5-8-14/h10-11,14H,2-5,7-9H2,1H3.
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 114797618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).