1-oxaspiro[5.5]undecane-2-carbonitrile

C11H17NO — CID 14905232

IUPAC1-oxaspiro[5.5]undecane-2-carbonitrile
SMILESN#CC1CCCC2(CCCCC2)O1
InChIInChI=1S/C11H17NO/c12-9-10-5-4-8-11(13-10)6-2-1-3-7-11/h10H,1-8H2
InChIKeyRAYBWLDNMHCQMK-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.78
Rot. Bonds

About 1-oxaspiro[5.5]undecane-2-carbonitrile

1-oxaspiro[5.5]undecane-2-carbonitrile (PubChem CID 14905232) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecane-2-carbonitrile.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecane-2-carbonitrile
PubChem CID14905232
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-oxaspiro[5.5]undecane-2-carbonitrile
SMILESN#CC1CCCC2(CCCCC2)O1
InChIInChI=1S/C11H17NO/c12-9-10-5-4-8-11(13-10)6-2-1-3-7-11/h10H,1-8H2
InChIKeyRAYBWLDNMHCQMK-UHFFFAOYSA-N
XLogP2.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecane-2-carbonitrile?
The IUPAC name of 1-oxaspiro[5.5]undecane-2-carbonitrile (CID 14905232) is 1-oxaspiro[5.5]undecane-2-carbonitrile.
What is the SMILES notation for 1-oxaspiro[5.5]undecane-2-carbonitrile?
The canonical SMILES for 1-oxaspiro[5.5]undecane-2-carbonitrile is N#CC1CCCC2(CCCCC2)O1.
What is the InChIKey of 1-oxaspiro[5.5]undecane-2-carbonitrile?
The InChIKey is RAYBWLDNMHCQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c12-9-10-5-4-8-11(13-10)6-2-1-3-7-11/h10H,1-8H2.
What are the key properties of 1-oxaspiro[5.5]undecane-2-carbonitrile?
1-oxaspiro[5.5]undecane-2-carbonitrile has a molecular weight of 179.26 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecane-2-carbonitrile is sourced from PubChem (CID 14905232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).