spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile

C14H16N2O2 — CID 5248847

IUPACspiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile
SMILESN#CC1(C#N)C2CC3(OCCO3)C3C2CCCC31
InChIInChI=1S/C14H16N2O2/c15-7-13(8-16)10-3-1-2-9-11(13)6-14(12(9)10)17-4-5-18-14/h9-12H,1-6H2
InChIKeyJRSKYUAOERREKK-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.83
Rot. Bonds

About spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile

spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile (PubChem CID 5248847) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile
PubChem CID5248847
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namespiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile
SMILESN#CC1(C#N)C2CC3(OCCO3)C3C2CCCC31
InChIInChI=1S/C14H16N2O2/c15-7-13(8-16)10-3-1-2-9-11(13)6-14(12(9)10)17-4-5-18-14/h9-12H,1-6H2
InChIKeyJRSKYUAOERREKK-UHFFFAOYSA-N
XLogP1.83
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
2'-chlorospiro[1,3-dioxolane-2,5'-bicyclo[2.2.2]octane]-2'-carbonitrile
CID 134967360
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
(1'R,2'S,4'R,7'R)-spiro[1,3-dioxolane-2,8'-3-oxatricyclo[5.2.0.02,4]nonane]
CID 88603451
2-(4-hydroxy-1,7-dioxaspiro[5.5]undecan-11-yl)acetonitrile
CID 21246036
2-propyl-4,7-dioxaspiro[2.4]heptane
CID 134922933
(1'S,2'R,4'S,6'S)-3',3'-dibromospiro[1,3-dioxolane-2,7'-tricyclo[4.2.0.02,4]octane]
CID 135037744
(6R)-6-bromo-1,4-dioxaspiro[4.7]dodecane
CID 98041196
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
CID 98041281
(1R,6R)-N-(8-cyano-1,4-dioxaspiro[4.5]decan-8-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 99775068
7,7-dimethyl-1,2,3,3a,3b,4,5,6,6a,7a-decahydrocyclopenta[a]pentalene
CID 85195042
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile?
The IUPAC name of spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile (CID 5248847) is spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile.
What is the SMILES notation for spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile?
The canonical SMILES for spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile is N#CC1(C#N)C2CC3(OCCO3)C3C2CCCC31.
What is the InChIKey of spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile?
The InChIKey is JRSKYUAOERREKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-7-13(8-16)10-3-1-2-9-11(13)6-14(12(9)10)17-4-5-18-14/h9-12H,1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile?
spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile has a molecular weight of 244.29 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,10'-tricyclo[4.4.0.02,8]decane]-7',7'-dicarbonitrile is sourced from PubChem (CID 5248847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).