(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile

C10H16N2 — CID 101050444

IUPAC(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
SMILESC[C@@H]1CC[C@H](C#N)N2CCCC12
InChIInChI=1S/C10H16N2/c1-8-4-5-9(7-11)12-6-2-3-10(8)12/h8-10H,2-6H2,1H3/t8-,9-,10?/m1/s1
InChIKeySXXCUMGHSJKFMZ-MGRQHWMJSA-N
MW164.25 g/mol
LogP1.77
Rot. Bonds

About (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile

(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile (PubChem CID 101050444) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile.

Molecular Properties

Compound Name(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
PubChem CID101050444
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile
SMILESC[C@@H]1CC[C@H](C#N)N2CCCC12
InChIInChI=1S/C10H16N2/c1-8-4-5-9(7-11)12-6-2-3-10(8)12/h8-10H,2-6H2,1H3/t8-,9-,10?/m1/s1
InChIKeySXXCUMGHSJKFMZ-MGRQHWMJSA-N
XLogP1.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-methyl-2-azatricyclo[5.3.1.02,6]undecane
CID 71430606
[1-(2-methylcyclohexyl)pyrrolidin-2-yl]methanamine
CID 115311555
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
7-(8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizin-5-yl)heptan-1-ol
CID 162993696
(5S,8R,8aS)-8-methyl-5-[(Z)-pent-1-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 10703541
1-cyclohex-2-en-1-ylpyrrolidine-2-carbonitrile
CID 114620002
(2R,7S,9R)-1,6-diazatricyclo[7.3.0.02,6]dodecane-7-carbonitrile
CID 10487960
1,3-dimethylpiperidine-2-carbonitrile
CID 56972747
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
1-(2,4-dimethylcyclohexyl)-2-pyrrolidin-2-ylpyrrolidine
CID 64756807
1-[1-(2-methylcyclopentyl)piperidin-2-yl]ethanamine
CID 65044628
1-(3-methylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320963

Frequently Asked Questions

What is the IUPAC name of (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile?
The IUPAC name of (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile (CID 101050444) is (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile.
What is the SMILES notation for (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile?
The canonical SMILES for (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile is C[C@@H]1CC[C@H](C#N)N2CCCC12.
What is the InChIKey of (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile?
The InChIKey is SXXCUMGHSJKFMZ-MGRQHWMJSA-N. The full InChI is InChI=1S/C10H16N2/c1-8-4-5-9(7-11)12-6-2-3-10(8)12/h8-10H,2-6H2,1H3/t8-,9-,10?/m1/s1.
What are the key properties of (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile?
(5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile has a molecular weight of 164.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,8R)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carbonitrile is sourced from PubChem (CID 101050444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).