2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile

C9H14N2 — CID 10773140

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile
SMILESN#CCC12CCCN1CCC2
InChIInChI=1S/C9H14N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-5,7-8H2
InChIKeyLXVPEYNDHDKFQM-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.53
Rot. Bonds1

About 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile (PubChem CID 10773140) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile
PubChem CID10773140
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile
SMILESN#CCC12CCCN1CCC2
InChIInChI=1S/C9H14N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-5,7-8H2
InChIKeyLXVPEYNDHDKFQM-UHFFFAOYSA-N
XLogP1.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile (CID 10773140) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile is N#CCC12CCCN1CCC2.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile?
The InChIKey is LXVPEYNDHDKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-6-5-9-3-1-7-11(9)8-2-4-9/h1-5,7-8H2.
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile has a molecular weight of 150.22 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)acetonitrile is sourced from PubChem (CID 10773140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).