2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile

C13H15NOS — CID 65006008

IUPAC2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(c2cccs2)CC2(CCOCC2)C1
InChIInChI=1S/C13H15NOS/c14-10-13(11-2-1-7-16-11)8-12(9-13)3-5-15-6-4-12/h1-2,7H,3-6,8-9H2
InChIKeyZLMXQGNJTFUTGA-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.10
Rot. Bonds1

About 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile

2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile (PubChem CID 65006008) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile
PubChem CID65006008
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(c2cccs2)CC2(CCOCC2)C1
InChIInChI=1S/C13H15NOS/c14-10-13(11-2-1-7-16-11)8-12(9-13)3-5-15-6-4-12/h1-2,7H,3-6,8-9H2
InChIKeyZLMXQGNJTFUTGA-UHFFFAOYSA-N
XLogP3.10
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile (CID 65006008) is 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile is N#CC1(c2cccs2)CC2(CCOCC2)C1.
What is the InChIKey of 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile?
The InChIKey is ZLMXQGNJTFUTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c14-10-13(11-2-1-7-16-11)8-12(9-13)3-5-15-6-4-12/h1-2,7H,3-6,8-9H2.
What are the key properties of 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile?
2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile has a molecular weight of 233.34 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-7-oxaspiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 65006008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).