2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile

C10H16N2 — CID 175914334

IUPAC2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile
SMILESN#CCC1CC2(CCNCC2)C1
InChIInChI=1S/C10H16N2/c11-4-1-9-7-10(8-9)2-5-12-6-3-10/h9,12H,1-3,5-8H2
InChIKeyOVFBOIYKSYTAAK-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.68
Rot. Bonds1

About 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile

2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile (PubChem CID 175914334) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile
PubChem CID175914334
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile
SMILESN#CCC1CC2(CCNCC2)C1
InChIInChI=1S/C10H16N2/c11-4-1-9-7-10(8-9)2-5-12-6-3-10/h9,12H,1-3,5-8H2
InChIKeyOVFBOIYKSYTAAK-UHFFFAOYSA-N
XLogP1.68
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile?
The IUPAC name of 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile (CID 175914334) is 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile.
What is the SMILES notation for 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile?
The canonical SMILES for 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile is N#CCC1CC2(CCNCC2)C1.
What is the InChIKey of 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile?
The InChIKey is OVFBOIYKSYTAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c11-4-1-9-7-10(8-9)2-5-12-6-3-10/h9,12H,1-3,5-8H2.
What are the key properties of 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile?
2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azaspiro[3.5]nonan-2-yl)acetonitrile is sourced from PubChem (CID 175914334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).