(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

C10H18N2 — CID 131002494

IUPAC(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1C[C@@H]2CNC[C@@H]2N(C2CC2)C1
InChIInChI=1S/C10H18N2/c1-2-8-6-11-7-10(8)12(5-1)9-3-4-9/h8-11H,1-7H2/t8-,10+/m1/s1
InChIKeyKAPOGHSTSGLUBS-SCZZXKLOSA-N
MW166.27 g/mol
LogP0.83
Rot. Bonds1

About (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine

(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 131002494) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID131002494
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESC1C[C@@H]2CNC[C@@H]2N(C2CC2)C1
InChIInChI=1S/C10H18N2/c1-2-8-6-11-7-10(8)12(5-1)9-3-4-9/h8-11H,1-7H2/t8-,10+/m1/s1
InChIKeyKAPOGHSTSGLUBS-SCZZXKLOSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 131002494) is (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is C1C[C@@H]2CNC[C@@H]2N(C2CC2)C1.
What is the InChIKey of (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is KAPOGHSTSGLUBS-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H18N2/c1-2-8-6-11-7-10(8)12(5-1)9-3-4-9/h8-11H,1-7H2/t8-,10+/m1/s1.
What are the key properties of (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
(4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 166.27 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-1-cyclopropyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 131002494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).