(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole

C10H19N — CID 142903352

IUPAC(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole
SMILESC[C@H]1C[C@@]2(C)CCC[C@]2(C)N1
InChIInChI=1S/C10H19N/c1-8-7-9(2)5-4-6-10(9,3)11-8/h8,11H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyIOSCJWLTGAQLHR-AEJSXWLSSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds

About (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole

(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole (PubChem CID 142903352) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole.

Molecular Properties

Compound Name(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole
PubChem CID142903352
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole
SMILESC[C@H]1C[C@@]2(C)CCC[C@]2(C)N1
InChIInChI=1S/C10H19N/c1-8-7-9(2)5-4-6-10(9,3)11-8/h8,11H,4-7H2,1-3H3/t8-,9+,10-/m0/s1
InChIKeyIOSCJWLTGAQLHR-AEJSXWLSSA-N
XLogP2.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole?
The IUPAC name of (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole (CID 142903352) is (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole.
What is the SMILES notation for (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole?
The canonical SMILES for (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole is C[C@H]1C[C@@]2(C)CCC[C@]2(C)N1.
What is the InChIKey of (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole?
The InChIKey is IOSCJWLTGAQLHR-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H19N/c1-8-7-9(2)5-4-6-10(9,3)11-8/h8,11H,4-7H2,1-3H3/t8-,9+,10-/m0/s1.
What are the key properties of (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole?
(2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole has a molecular weight of 153.27 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aR,6aS)-2,3a,6a-trimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrole is sourced from PubChem (CID 142903352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).