8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C12H18N2O2 — CID 57475115

IUPAC8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N2CCC2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O2/c13-10-11(14-6-1-7-14)2-4-12(5-3-11)15-8-9-16-12/h1-9H2
InChIKeyFJWZJHUXTXQKCL-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.27
Rot. Bonds1

About 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 57475115) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID57475115
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N2CCC2)CCC2(CC1)OCCO2
InChIInChI=1S/C12H18N2O2/c13-10-11(14-6-1-7-14)2-4-12(5-3-11)15-8-9-16-12/h1-9H2
InChIKeyFJWZJHUXTXQKCL-UHFFFAOYSA-N
XLogP1.27
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 57475115) is 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is N#CC1(N2CCC2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is FJWZJHUXTXQKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-10-11(14-6-1-7-14)2-4-12(5-3-11)15-8-9-16-12/h1-9H2.
What are the key properties of 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(azetidin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 57475115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).