8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile

C13H20N2O3 — CID 43802976

IUPAC8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N2CCOCC2)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O3/c14-11-12(15-5-7-16-8-6-15)1-3-13(4-2-12)17-9-10-18-13/h1-10H2
InChIKeyLHBYDBXMEGRXJW-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.90
Rot. Bonds1

About 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile

8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile (PubChem CID 43802976) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
PubChem CID43802976
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
SMILESN#CC1(N2CCOCC2)CCC2(CC1)OCCO2
InChIInChI=1S/C13H20N2O3/c14-11-12(15-5-7-16-8-6-15)1-3-13(4-2-12)17-9-10-18-13/h1-10H2
InChIKeyLHBYDBXMEGRXJW-UHFFFAOYSA-N
XLogP0.90
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
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3-morpholin-4-ylpiperidine-3-carbonitrile
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CID 13444051
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
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4-piperazin-1-yloxepane-4-carbonitrile
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4,7-dioxaspiro[2.4]heptane;trimethylsilylformonitrile
CID 91600100
4-(3-aminoazetidin-1-yl)oxane-4-carbonitrile
CID 121209837
2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
CID 130555203
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
8-ethyl-1,4-dioxa-8-azaspiro[4.5]decane;4-ethylmorpholine
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CID 75229714

Frequently Asked Questions

What is the IUPAC name of 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile (CID 43802976) is 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile is N#CC1(N2CCOCC2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
The InChIKey is LHBYDBXMEGRXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-11-12(15-5-7-16-8-6-15)1-3-13(4-2-12)17-9-10-18-13/h1-10H2.
What are the key properties of 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile?
8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile has a molecular weight of 252.31 g/mol, XLogP of 0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 43802976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).