2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile

C10H16N2O — CID 65496521

IUPAC2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COC2CCNC2)CC1
InChIInChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-13-9-1-6-12-7-9/h9,12H,1-4,6-8H2
InChIKeyIFZFXAQZQNHVPI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds4

About 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile

2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile (PubChem CID 65496521) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile
PubChem CID65496521
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(COC2CCNC2)CC1
InChIInChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-13-9-1-6-12-7-9/h9,12H,1-4,6-8H2
InChIKeyIFZFXAQZQNHVPI-UHFFFAOYSA-N
XLogP1.06
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile (CID 65496521) is 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile is N#CCC1(COC2CCNC2)CC1.
What is the InChIKey of 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile?
The InChIKey is IFZFXAQZQNHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-5-4-10(2-3-10)8-13-9-1-6-12-7-9/h9,12H,1-4,6-8H2.
What are the key properties of 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile?
2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrrolidin-3-yloxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65496521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).