2-(4-aminopyrrolidin-3-yl)acetonitrile

C6H11N3 — CID 105427251

IUPAC2-(4-aminopyrrolidin-3-yl)acetonitrile
SMILESN#CCC1CNCC1N
InChIInChI=1S/C6H11N3/c7-2-1-5-3-9-4-6(5)8/h5-6,9H,1,3-4,8H2
InChIKeyHKEDWCAVPSXSEI-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.55
Rot. Bonds1

About 2-(4-aminopyrrolidin-3-yl)acetonitrile

2-(4-aminopyrrolidin-3-yl)acetonitrile (PubChem CID 105427251) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(4-aminopyrrolidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-aminopyrrolidin-3-yl)acetonitrile
PubChem CID105427251
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(4-aminopyrrolidin-3-yl)acetonitrile
SMILESN#CCC1CNCC1N
InChIInChI=1S/C6H11N3/c7-2-1-5-3-9-4-6(5)8/h5-6,9H,1,3-4,8H2
InChIKeyHKEDWCAVPSXSEI-UHFFFAOYSA-N
XLogP-0.55
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrrolidin-3-yl)acetonitrile?
The IUPAC name of 2-(4-aminopyrrolidin-3-yl)acetonitrile (CID 105427251) is 2-(4-aminopyrrolidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(4-aminopyrrolidin-3-yl)acetonitrile?
The canonical SMILES for 2-(4-aminopyrrolidin-3-yl)acetonitrile is N#CCC1CNCC1N.
What is the InChIKey of 2-(4-aminopyrrolidin-3-yl)acetonitrile?
The InChIKey is HKEDWCAVPSXSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c7-2-1-5-3-9-4-6(5)8/h5-6,9H,1,3-4,8H2.
What are the key properties of 2-(4-aminopyrrolidin-3-yl)acetonitrile?
2-(4-aminopyrrolidin-3-yl)acetonitrile has a molecular weight of 125.17 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrrolidin-3-yl)acetonitrile is sourced from PubChem (CID 105427251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).