3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile

C11H19N3 — CID 164657621

IUPAC3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile
SMILESCC(C(N)C#N)N1CCC2CCCC21
InChIInChI=1S/C11H19N3/c1-8(10(13)7-12)14-6-5-9-3-2-4-11(9)14/h8-11H,2-6,13H2,1H3
InChIKeyLUAFOIBBJMUBKC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.10
Rot. Bonds2

About 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile

3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile (PubChem CID 164657621) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile
PubChem CID164657621
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile
SMILESCC(C(N)C#N)N1CCC2CCCC21
InChIInChI=1S/C11H19N3/c1-8(10(13)7-12)14-6-5-9-3-2-4-11(9)14/h8-11H,2-6,13H2,1H3
InChIKeyLUAFOIBBJMUBKC-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile (CID 164657621) is 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile is CC(C(N)C#N)N1CCC2CCCC21.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile?
The InChIKey is LUAFOIBBJMUBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8(10(13)7-12)14-6-5-9-3-2-4-11(9)14/h8-11H,2-6,13H2,1H3.
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile?
3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile has a molecular weight of 193.29 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-2-aminobutanenitrile is sourced from PubChem (CID 164657621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).