1-oxaspiro[4.5]decane-8-carbonitrile

C10H15NO — CID 67072839

IUPAC1-oxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1CCC2(CCCO2)CC1
InChIInChI=1S/C10H15NO/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h9H,1-7H2
InChIKeyOAMFPOIWBHXROJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.25
Rot. Bonds

About 1-oxaspiro[4.5]decane-8-carbonitrile

1-oxaspiro[4.5]decane-8-carbonitrile (PubChem CID 67072839) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-oxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name1-oxaspiro[4.5]decane-8-carbonitrile
PubChem CID67072839
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-oxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1CCC2(CCCO2)CC1
InChIInChI=1S/C10H15NO/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h9H,1-7H2
InChIKeyOAMFPOIWBHXROJ-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-oxaspiro[2.5]octane-6-carbonitrile
CID 86647904
1-oxaspiro[4.5]decan-8-amine
CID 67070405
cyclooctanecarbonitrile
CID 13075060
methanol;4-oxaspiro[2.4]heptane
CID 144744375
1,9-dioxaspiro[5.5]undecane-4-carbonitrile
CID 79903637
N,N-dimethyl-1-oxaspiro[4.5]decan-8-amine
CID 58035405
ethane;9-methyl-1-oxaspiro[5.5]undecane
CID 145047739
8-ethyl-1-oxaspiro[4.5]decane
CID 137449478
cyclooctanecarbonitrile;methane
CID 173081929
cyclohexanecarbonitrile;hydrochloride
CID 141135021
(5R,7S)-4,8-dioxadispiro[4.1.47.35]tetradecane
CID 101092010
6-oxaspiro[3.5]nonane-2-carbonitrile
CID 56962162

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 1-oxaspiro[4.5]decane-8-carbonitrile (CID 67072839) is 1-oxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 1-oxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 1-oxaspiro[4.5]decane-8-carbonitrile is N#CC1CCC2(CCCO2)CC1.
What is the InChIKey of 1-oxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is OAMFPOIWBHXROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c11-8-9-2-5-10(6-3-9)4-1-7-12-10/h9H,1-7H2.
What are the key properties of 1-oxaspiro[4.5]decane-8-carbonitrile?
1-oxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 67072839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).