5-pyrrolidin-2-ylpentanenitrile

C9H16N2 — CID 174696623

IUPAC5-pyrrolidin-2-ylpentanenitrile
SMILESN#CCCCCC1CCCN1
InChIInChI=1S/C9H16N2/c10-7-3-1-2-5-9-6-4-8-11-9/h9,11H,1-6,8H2
InChIKeyVITIRDXUVALOPA-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.82
Rot. Bonds4

About 5-pyrrolidin-2-ylpentanenitrile

5-pyrrolidin-2-ylpentanenitrile (PubChem CID 174696623) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylpentanenitrile.

Molecular Properties

Compound Name5-pyrrolidin-2-ylpentanenitrile
PubChem CID174696623
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-pyrrolidin-2-ylpentanenitrile
SMILESN#CCCCCC1CCCN1
InChIInChI=1S/C9H16N2/c10-7-3-1-2-5-9-6-4-8-11-9/h9,11H,1-6,8H2
InChIKeyVITIRDXUVALOPA-UHFFFAOYSA-N
XLogP1.82
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-2-ylacetonitrile
CID 12896132
7-pyrrolidin-2-ylheptan-1-ol
CID 10330055
(2S)-2-hexylpyrrolidine
CID 7047826
(2S)-2-[3-[(2S)-piperidin-2-yl]propyl]piperidine
CID 29416072
(2R)-2-[3-[(2R)-piperidin-2-yl]propyl]piperidine
CID 29416085
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
CID 134397939
2-(3-methylsulfanylpropyl)pyrrolidine
CID 62479260
2-tetradecylpiperidine
CID 151771246
5-piperidin-4-ylpentanenitrile;hydrochloride
CID 155294565
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-pyrrolidin-2-ylethanamine
CID 14030009

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylpentanenitrile?
The IUPAC name of 5-pyrrolidin-2-ylpentanenitrile (CID 174696623) is 5-pyrrolidin-2-ylpentanenitrile.
What is the SMILES notation for 5-pyrrolidin-2-ylpentanenitrile?
The canonical SMILES for 5-pyrrolidin-2-ylpentanenitrile is N#CCCCCC1CCCN1.
What is the InChIKey of 5-pyrrolidin-2-ylpentanenitrile?
The InChIKey is VITIRDXUVALOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c10-7-3-1-2-5-9-6-4-8-11-9/h9,11H,1-6,8H2.
What are the key properties of 5-pyrrolidin-2-ylpentanenitrile?
5-pyrrolidin-2-ylpentanenitrile has a molecular weight of 152.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylpentanenitrile is sourced from PubChem (CID 174696623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).