9-oxospiro[4.5]dec-7-ene-4-carbonitrile

C11H13NO — CID 12538162

IUPAC9-oxospiro[4.5]dec-7-ene-4-carbonitrile
SMILESN#CC1CCCC12CC=CC(=O)C2
InChIInChI=1S/C11H13NO/c12-8-9-3-1-5-11(9)6-2-4-10(13)7-11/h2,4,9H,1,3,5-7H2
InChIKeyDJBZNVIJIQURDQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.22
Rot. Bonds

About 9-oxospiro[4.5]dec-7-ene-4-carbonitrile

9-oxospiro[4.5]dec-7-ene-4-carbonitrile (PubChem CID 12538162) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 9-oxospiro[4.5]dec-7-ene-4-carbonitrile.

Molecular Properties

Compound Name9-oxospiro[4.5]dec-7-ene-4-carbonitrile
PubChem CID12538162
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name9-oxospiro[4.5]dec-7-ene-4-carbonitrile
SMILESN#CC1CCCC12CC=CC(=O)C2
InChIInChI=1S/C11H13NO/c12-8-9-3-1-5-11(9)6-2-4-10(13)7-11/h2,4,9H,1,3,5-7H2
InChIKeyDJBZNVIJIQURDQ-UHFFFAOYSA-N
XLogP2.22
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxospiro[4.5]dec-7-ene-4-carbonitrile?
The IUPAC name of 9-oxospiro[4.5]dec-7-ene-4-carbonitrile (CID 12538162) is 9-oxospiro[4.5]dec-7-ene-4-carbonitrile.
What is the SMILES notation for 9-oxospiro[4.5]dec-7-ene-4-carbonitrile?
The canonical SMILES for 9-oxospiro[4.5]dec-7-ene-4-carbonitrile is N#CC1CCCC12CC=CC(=O)C2.
What is the InChIKey of 9-oxospiro[4.5]dec-7-ene-4-carbonitrile?
The InChIKey is DJBZNVIJIQURDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-8-9-3-1-5-11(9)6-2-4-10(13)7-11/h2,4,9H,1,3,5-7H2.
What are the key properties of 9-oxospiro[4.5]dec-7-ene-4-carbonitrile?
9-oxospiro[4.5]dec-7-ene-4-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxospiro[4.5]dec-7-ene-4-carbonitrile is sourced from PubChem (CID 12538162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).