2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile

C11H15NO — CID 11298274

IUPAC2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile
SMILESN#CCC1CCCC12CCCC2=O
InChIInChI=1S/C11H15NO/c12-8-5-9-3-1-6-11(9)7-2-4-10(11)13/h9H,1-7H2
InChIKeyBHWYTOYOQYUWOI-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.44
Rot. Bonds1

About 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile

2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile (PubChem CID 11298274) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile
PubChem CID11298274
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile
SMILESN#CCC1CCCC12CCCC2=O
InChIInChI=1S/C11H15NO/c12-8-5-9-3-1-6-11(9)7-2-4-10(11)13/h9H,1-7H2
InChIKeyBHWYTOYOQYUWOI-UHFFFAOYSA-N
XLogP2.44
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile?
The IUPAC name of 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile (CID 11298274) is 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile.
What is the SMILES notation for 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile?
The canonical SMILES for 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile is N#CCC1CCCC12CCCC2=O.
What is the InChIKey of 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile?
The InChIKey is BHWYTOYOQYUWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-8-5-9-3-1-6-11(9)7-2-4-10(11)13/h9H,1-7H2.
What are the key properties of 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile?
2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile has a molecular weight of 177.25 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxospiro[4.4]nonan-9-yl)acetonitrile is sourced from PubChem (CID 11298274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).