4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile

C14H22N2O — CID 114244831

IUPAC4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile
SMILESN#CC1(N2CCCC2)CCCC12CCOCC2
InChIInChI=1S/C14H22N2O/c15-12-14(16-8-1-2-9-16)5-3-4-13(14)6-10-17-11-7-13/h1-11H2
InChIKeyLMPDYYCZXXUFTC-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.33
Rot. Bonds1

About 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile

4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile (PubChem CID 114244831) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile
PubChem CID114244831
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile
SMILESN#CC1(N2CCCC2)CCCC12CCOCC2
InChIInChI=1S/C14H22N2O/c15-12-14(16-8-1-2-9-16)5-3-4-13(14)6-10-17-11-7-13/h1-11H2
InChIKeyLMPDYYCZXXUFTC-UHFFFAOYSA-N
XLogP2.33
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-piperazin-1-yloxepane-4-carbonitrile
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3-chloro-5-[(4-pyrrolidin-1-yloxan-4-yl)methylamino]-1,2-thiazole-4-carbonitrile
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CID 82843101
4-butyloxane-4-carbonitrile
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4-(3-aminoazetidin-1-yl)oxane-4-carbonitrile
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2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
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CID 43802963

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile?
The IUPAC name of 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile (CID 114244831) is 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile.
What is the SMILES notation for 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile?
The canonical SMILES for 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile is N#CC1(N2CCCC2)CCCC12CCOCC2.
What is the InChIKey of 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile?
The InChIKey is LMPDYYCZXXUFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-12-14(16-8-1-2-9-16)5-3-4-13(14)6-10-17-11-7-13/h1-11H2.
What are the key properties of 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile?
4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile has a molecular weight of 234.34 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-8-oxaspiro[4.5]decane-4-carbonitrile is sourced from PubChem (CID 114244831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).