2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile

C10H16N2 — CID 65494855

IUPAC2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCCC2)CC1
InChIInChI=1S/C10H16N2/c11-6-5-10(3-4-10)9-12-7-1-2-8-12/h1-5,7-9H2
InChIKeyLZCSUMKCPIZMFC-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.78
Rot. Bonds3

About 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile

2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile (PubChem CID 65494855) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile
PubChem CID65494855
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile
SMILESN#CCC1(CN2CCCC2)CC1
InChIInChI=1S/C10H16N2/c11-6-5-10(3-4-10)9-12-7-1-2-8-12/h1-5,7-9H2
InChIKeyLZCSUMKCPIZMFC-UHFFFAOYSA-N
XLogP1.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile (CID 65494855) is 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile is N#CCC1(CN2CCCC2)CC1.
What is the InChIKey of 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile?
The InChIKey is LZCSUMKCPIZMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-6-5-10(3-4-10)9-12-7-1-2-8-12/h1-5,7-9H2.
What are the key properties of 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile?
2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65494855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).