(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile

C11H17N3 — CID 10487960

IUPAC(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CCCN2[C@H]2CCCN21
InChIInChI=1S/C11H17N3/c12-8-10-7-9-3-1-5-13(9)11-4-2-6-14(10)11/h9-11H,1-7H2/t9-,10+,11-/m1/s1
InChIKeyQMUTUEDVCVMMBO-OUAUKWLOSA-N
MW191.28 g/mol
LogP1.17
Rot. Bonds

About (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile

(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile (PubChem CID 10487960) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile.

Molecular Properties

Compound Name(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
PubChem CID10487960
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
SMILESN#C[C@@H]1C[C@H]2CCCN2[C@H]2CCCN21
InChIInChI=1S/C11H17N3/c12-8-10-7-9-3-1-5-13(9)11-4-2-6-14(10)11/h9-11H,1-7H2/t9-,10+,11-/m1/s1
InChIKeyQMUTUEDVCVMMBO-OUAUKWLOSA-N
XLogP1.17
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane
CID 101138432
(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
CID 101050444
(3S)-3-ethynyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 18396254
1-(3-methylcyclohexyl)piperazine-2-carbonitrile
CID 79086423
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
CID 114620002
1-(oxan-3-yl)piperazine-2-carbonitrile
CID 107135453
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
(2R,7S,9R)-7-propyl-1,6-diazatricyclo[7.4.0.02,6]tridecane-7-carbonitrile
CID 10658154
1-(6-oxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79904021
1-[4-[(2S)-2-cyanopyrrolidin-1-yl]-4-oxobut-2-enoyl]pyrrolidine-2-carbonitrile
CID 91003836
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-2-carbonitrile
CID 12577375
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-2-carbonitrile
CID 79903946

Frequently Asked Questions

What is the IUPAC name of (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The IUPAC name of (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile (CID 10487960) is (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile.
What is the SMILES notation for (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The canonical SMILES for (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile is N#C[C@@H]1C[C@H]2CCCN2[C@H]2CCCN21.
What is the InChIKey of (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
The InChIKey is QMUTUEDVCVMMBO-OUAUKWLOSA-N. The full InChI is InChI=1S/C11H17N3/c12-8-10-7-9-3-1-5-13(9)11-4-2-6-14(10)11/h9-11H,1-7H2/t9-,10+,11-/m1/s1.
What are the key properties of (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile?
(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile has a molecular weight of 191.28 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile is sourced from PubChem (CID 10487960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).