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

C8H16N2 — CID 59676679

IUPAC(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCN1CCC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyQVLUVOZDWSAEIP-SFYZADRCSA-N
MW140.23 g/mol
LogP0.30
Rot. Bonds

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

(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (PubChem CID 59676679) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
PubChem CID59676679
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
SMILESCN1CCC[C@@H]2CNC[C@@H]21
InChIInChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyQVLUVOZDWSAEIP-SFYZADRCSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The IUPAC name of (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine (CID 59676679) is (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is CN1CCC[C@@H]2CNC[C@@H]21.
What is the InChIKey of (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
The InChIKey is QVLUVOZDWSAEIP-SFYZADRCSA-N. The full InChI is InChI=1S/C8H16N2/c1-10-4-2-3-7-5-9-6-8(7)10/h7-9H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine?
(4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine has a molecular weight of 140.23 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aR)-1-methyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 59676679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).