3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile

C7H12N2O — CID 114797591

IUPAC3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC(CCO)C1
InChIInChI=1S/C7H12N2O/c8-6-9-3-1-7(5-9)2-4-10/h7,10H,1-5H2
InChIKeyADNQDKGZFRIFSH-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.17
Rot. Bonds2

About 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile

3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile (PubChem CID 114797591) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile
PubChem CID114797591
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile
SMILESN#CN1CCC(CCO)C1
InChIInChI=1S/C7H12N2O/c8-6-9-3-1-7(5-9)2-4-10/h7,10H,1-5H2
InChIKeyADNQDKGZFRIFSH-UHFFFAOYSA-N
XLogP0.17
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)piperidine-1-carbonitrile
CID 51358289
acetylene;3-ethylpyrrolidine-1-carbonitrile
CID 170704684
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanenitrile
CID 130668061
4-ethylpiperidine-1-carbonitrile
CID 89030426
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 114797594
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentanenitrile
CID 114797618
5-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 114382889
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-oxoacetic acid
CID 104767982
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2-methylbutanenitrile
CID 114797595
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
CID 114797597

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile?
The IUPAC name of 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile (CID 114797591) is 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile?
The canonical SMILES for 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile is N#CN1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile?
The InChIKey is ADNQDKGZFRIFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-9-3-1-7(5-9)2-4-10/h7,10H,1-5H2.
What are the key properties of 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile?
3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile has a molecular weight of 140.19 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 114797591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).