(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile

C10H10N2O2 — CID 129322020

IUPAC(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile
SMILESN#C[C@@H]1[C@H]2[C@H]3[C@H](C#N)[C@H]3[C@@H](O)[C@@H](O)[C@@H]12
InChIInChI=1S/C10H10N2O2/c11-1-3-5-6-4(2-12)8(6)10(14)9(13)7(3)5/h3-10,13-14H/t3-,4+,5+,6-,7+,8-,9+,10-
InChIKeyMOKNGASMFPZNDI-YTAQVTJYSA-N
MW190.20 g/mol
LogP-0.51
Rot. Bonds

About (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile

(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile (PubChem CID 129322020) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile.

Molecular Properties

Compound Name(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile
PubChem CID129322020
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile
SMILESN#C[C@@H]1[C@H]2[C@H]3[C@H](C#N)[C@H]3[C@@H](O)[C@@H](O)[C@@H]12
InChIInChI=1S/C10H10N2O2/c11-1-3-5-6-4(2-12)8(6)10(14)9(13)7(3)5/h3-10,13-14H/t3-,4+,5+,6-,7+,8-,9+,10-
InChIKeyMOKNGASMFPZNDI-YTAQVTJYSA-N
XLogP-0.51
TPSA88.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile?
The IUPAC name of (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile (CID 129322020) is (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile.
What is the SMILES notation for (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile?
The canonical SMILES for (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile is N#C[C@@H]1[C@H]2[C@H]3[C@H](C#N)[C@H]3[C@@H](O)[C@@H](O)[C@@H]12.
What is the InChIKey of (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile?
The InChIKey is MOKNGASMFPZNDI-YTAQVTJYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-1-3-5-6-4(2-12)8(6)10(14)9(13)7(3)5/h3-10,13-14H/t3-,4+,5+,6-,7+,8-,9+,10-.
What are the key properties of (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile?
(1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile has a molecular weight of 190.20 g/mol, XLogP of -0.51, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,4S,5R,6S,7R,8R)-5,6-dihydroxytricyclo[5.1.0.02,4]octane-3,8-dicarbonitrile is sourced from PubChem (CID 129322020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).